1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide

C13H20N2OS — CID 119317853

IUPAC1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2(N)CCCC2)s1
InChIInChI=1S/C13H20N2OS/c1-10-5-6-11(17-10)9-15(2)12(16)13(14)7-3-4-8-13/h5-6H,3-4,7-9,14H2,1-2H3
InChIKeyKIGUZCSOMUEEDQ-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.29
Rot. Bonds3

About 1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide

1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 119317853) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide
PubChem CID119317853
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2(N)CCCC2)s1
InChIInChI=1S/C13H20N2OS/c1-10-5-6-11(17-10)9-15(2)12(16)13(14)7-3-4-8-13/h5-6H,3-4,7-9,14H2,1-2H3
InChIKeyKIGUZCSOMUEEDQ-UHFFFAOYSA-N
XLogP2.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-(2-thienylmethyl)propanamide
CID 845104
N-cyclopentyl-N~2~-(thiophen-2-ylacetyl)-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3242787
N-cyclopentyl-2-methyl-5-oxo-1-(thien-2-ylmethyl)prolinamide
CID 3239395
N~2~-acetyl-N-cyclopentyl-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3240904
N-cyclohexyl-N~2~-(thiophen-2-ylacetyl)-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 4030882
N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 4306436
2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide
CID 4535556
2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 46943643
(2S)-2-(2-oxo-4-thiophen-2-ylpyrrolidin-1-yl)butanamide
CID 9856359
5-oxoprolyl-N-cyclopentyl-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3537066
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)cyclohexanecarboxamide
CID 5310190
N-cyclopentyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 18137963

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide (CID 119317853) is 1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide is Cc1ccc(CN(C)C(=O)C2(N)CCCC2)s1.
What is the InChIKey of 1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is KIGUZCSOMUEEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-5-6-11(17-10)9-15(2)12(16)13(14)7-3-4-8-13/h5-6H,3-4,7-9,14H2,1-2H3.
What are the key properties of 1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide?
1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119317853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).