N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide

C15H22N2O2S — CID 119604496

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)NC2CCCC2CN)c1
InChIInChI=1S/C15H22N2O2S/c1-19-12-5-3-6-13(8-12)20-10-15(18)17-14-7-2-4-11(14)9-16/h3,5-6,8,11,14H,2,4,7,9-10,16H2,1H3,(H,17,18)
InChIKeyCSEQVZBBQIIEBQ-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.03
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide

N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide (PubChem CID 119604496) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide
PubChem CID119604496
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)NC2CCCC2CN)c1
InChIInChI=1S/C15H22N2O2S/c1-19-12-5-3-6-13(8-12)20-10-15(18)17-14-7-2-4-11(14)9-16/h3,5-6,8,11,14H,2,4,7,9-10,16H2,1H3,(H,17,18)
InChIKeyCSEQVZBBQIIEBQ-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 119612327
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 119602529
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119610659
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 119575363
N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 119609155
2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453540
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 119458861
N-[2-(aminomethyl)cyclopentyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119602262
N-[2-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide
CID 119603622
N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119602527
N-(1-cyclopropylpyrrolidin-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 47937957
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)sulfanylethanone
CID 119634037

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide (CID 119604496) is N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide is COc1cccc(SCC(=O)NC2CCCC2CN)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The InChIKey is CSEQVZBBQIIEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-19-12-5-3-6-13(8-12)20-10-15(18)17-14-7-2-4-11(14)9-16/h3,5-6,8,11,14H,2,4,7,9-10,16H2,1H3,(H,17,18).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide?
N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide has a molecular weight of 294.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 119604496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).