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

C53H90N6O6S4 — CID 159200364

IUPAC1-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
SMILESC.C.C.C.C.CCN1CCCCC1.CNC(=O)c1ccco1.CNCC1=CCC=C1.CNS(=O)(=O)C1=CCC=C1.CNS(=O)(=O)c1ccccc1.Cc1cccs1.Cc1ccsc1.Cn1cccc1
InChIInChI=1S/C7H9NO2S.C7H11N.C7H15N.C6H9NO2S.C6H7NO2.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;1-7-6(8)5-3-2-4-9-5;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;2-4H,1H3,(H,7,8);2-5H,1H3;2*2-4H,1H3;5*1H4
InChIKeyKPEZAJAPEFHFAB-UHFFFAOYSA-N
MW1035.61 g/mol
LogP12.52
Rot. Bonds8

About 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

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 (PubChem CID 159200364) has the molecular formula C53H90N6O6S4 and a molecular weight of 1035.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159200364
Molecular FormulaC53H90N6O6S4
Molecular Weight1035.61 g/mol
Exact Mass1034.58
IUPAC Name1-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
SMILESC.C.C.C.C.CCN1CCCCC1.CNC(=O)c1ccco1.CNCC1=CCC=C1.CNS(=O)(=O)C1=CCC=C1.CNS(=O)(=O)c1ccccc1.Cc1cccs1.Cc1ccsc1.Cn1cccc1
InChIInChI=1S/C7H9NO2S.C7H11N.C7H15N.C6H9NO2S.C6H7NO2.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;1-7-6(8)5-3-2-4-9-5;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;2-4H,1H3,(H,7,8);2-5H,1H3;2*2-4H,1H3;5*1H4
InChIKeyKPEZAJAPEFHFAB-UHFFFAOYSA-N
XLogP12.52
TPSA154.78 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001035.61
LogP ≤ 512.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211640
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211832
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211853
N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-furancarboxamide
CID 646973
Thiophene-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211264
N-(pyridin-3-ylmethyl)-N-(2-(thiophen-2-yl)ethyl)furan-2-carboxamide
CID 71781276
N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
CID 9125192
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
CID 9156708
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
CID 9155513
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
CID 9155519
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
CID 21002093
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
CID 21007615

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.CCN1CCCCC1.CNC(=O)c1ccco1.CNCC1=CCC=C1.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;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;N-methylfuran-2-carboxamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene?
The InChIKey is KPEZAJAPEFHFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.C7H11N.C7H15N.C6H9NO2S.C6H7NO2.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;1-7-6(8)5-3-2-4-9-5;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;2-4H,1H3,(H,7,8);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;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;N-methylfuran-2-carboxamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene?
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 has a molecular weight of 1035.61 g/mol, XLogP of 12.52, 8 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;methane;N-methylbenzenesulfonamide;N-methylcyclopenta-1,4-diene-1-sulfonamide;N-methylfuran-2-carboxamide;1-methylpyrrole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 159200364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).