1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;1-(furan-2-yl)-N-methylmethanamine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene

C53H92N6O5S4 — CID 157080291

IUPAC1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;1-(furan-2-yl)-N-methylmethanamine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene
SMILESC.C.C.C.C.CCN1CCCCC1.CNCC1=CCC=C1.CNCc1ccco1.CNS(=O)(=O)C1=CCC=C1.CNS(=O)(=O)c1ccccc1.Cc1cccs1.Cc1ccsc1.Cn1cccc1
InChIInChI=1S/C7H9NO2S.C7H11N.C7H15N.C6H9NO2S.C6H9NO.C5H7N.2C5H6S.5CH4/c1-8-11(9,10)7-5-3-2-4-6-7;1-8-6-7-4-2-3-5-7;1-2-8-6-4-3-5-7-8;1-7-10(8,9)6-4-2-3-5-6;1-7-5-6-3-2-4-8-6;1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;;;;;/h2-6,8H,1H3;2,4-5,8H,3,6H2,1H3;2-7H2,1H3;2,4-5,7H,3H2,1H3;2-4,7H,5H2,1H3;2-5H,1H3;2*2-4H,1H3;5*1H4
InChIKeyADLRALOEKQRIEM-UHFFFAOYSA-N
MW1021.62 g/mol
LogP12.88
Rot. Bonds9

About 1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;1-(furan-2-yl)-N-methylmethanamine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene

1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;1-(furan-2-yl)-N-methylmethanamine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene (PubChem CID 157080291) has the molecular formula C53H92N6O5S4 and a molecular weight of 1021.62 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;1-(furan-2-yl)-N-methylmethanamine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;1-(furan-2-yl)-N-methylmethanamine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene
PubChem CID157080291
Molecular FormulaC53H92N6O5S4
Molecular Weight1021.62 g/mol
Exact Mass1020.60
IUPAC Name1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;1-(furan-2-yl)-N-methylmethanamine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene
SMILESC.C.C.C.C.CCN1CCCCC1.CNCC1=CCC=C1.CNCc1ccco1.CNS(=O)(=O)C1=CCC=C1.CNS(=O)(=O)c1ccccc1.Cc1cccs1.Cc1ccsc1.Cn1cccc1
InChIInChI=1S/C7H9NO2S.C7H11N.C7H15N.C6H9NO2S.C6H9NO.C5H7N.2C5H6S.5CH4/c1-8-11(9,10)7-5-3-2-4-6-7;1-8-6-7-4-2-3-5-7;1-2-8-6-4-3-5-7-8;1-7-10(8,9)6-4-2-3-5-6;1-7-5-6-3-2-4-8-6;1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;;;;;/h2-6,8H,1H3;2,4-5,8H,3,6H2,1H3;2-7H2,1H3;2,4-5,7H,3H2,1H3;2-4,7H,5H2,1H3;2-5H,1H3;2*2-4H,1H3;5*1H4
InChIKeyADLRALOEKQRIEM-UHFFFAOYSA-N
XLogP12.88
TPSA137.71 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001021.62
LogP ≤ 512.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;1-(furan-2-yl)-N-methylmethanamine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene with MolForge

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Launch Full Analysis

Related Compounds

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CID 3211264
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CID 167859452
N-(furan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 49754116
1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine
CID 144791956
benzene;furan;pentakis(3-methylbutan-2-one);pentakis(N-methylpropan-2-amine);pyridine;1H-pyrrole;thiophene
CID 157137600
Bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene
CID 157497014
2,5-Dimethylfuran;2,3-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene
CID 158101724
2-Ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one
CID 158464918
1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;N-methylfuran-2-carboxamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene
CID 159200364
Ethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
CID 161212352
N-(furan-2-ylmethyl)formamide;methane;N-(pyridin-3-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide
CID 161489822
[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)azanium
CID 2452422

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;1-(furan-2-yl)-N-methylmethanamine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene?
The IUPAC name of 1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;1-(furan-2-yl)-N-methylmethanamine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene (CID 157080291) is 1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;1-(furan-2-yl)-N-methylmethanamine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;1-(furan-2-yl)-N-methylmethanamine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;1-(furan-2-yl)-N-methylmethanamine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene is C.C.C.C.C.CCN1CCCCC1.CNCC1=CCC=C1.CNCc1ccco1.CNS(=O)(=O)C1=CCC=C1.CNS(=O)(=O)c1ccccc1.Cc1cccs1.Cc1ccsc1.Cn1cccc1.
What is the InChIKey of 1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;1-(furan-2-yl)-N-methylmethanamine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene?
The InChIKey is ADLRALOEKQRIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.C7H11N.C7H15N.C6H9NO2S.C6H9NO.C5H7N.2C5H6S.5CH4/c1-8-11(9,10)7-5-3-2-4-6-7;1-8-6-7-4-2-3-5-7;1-2-8-6-4-3-5-7-8;1-7-10(8,9)6-4-2-3-5-6;1-7-5-6-3-2-4-8-6;1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;;;;;/h2-6,8H,1H3;2,4-5,8H,3,6H2,1H3;2-7H2,1H3;2,4-5,7H,3H2,1H3;2-4,7H,5H2,1H3;2-5H,1H3;2*2-4H,1H3;5*1H4.
What are the key properties of 1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;1-(furan-2-yl)-N-methylmethanamine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene?
1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;1-(furan-2-yl)-N-methylmethanamine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene has a molecular weight of 1021.62 g/mol, XLogP of 12.88, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-yl-N-methylmethanamine;1-ethylpiperidine;1-(furan-2-yl)-N-methylmethanamine;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 157080291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).