N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide

C16H24N2O2S — CID 119602529

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(SCC(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C16H24N2O2S/c1-2-20-13-6-8-14(9-7-13)21-11-16(19)18-15-5-3-4-12(15)10-17/h6-9,12,15H,2-5,10-11,17H2,1H3,(H,18,19)
InChIKeyGQRHQJMAIYLGLJ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.42
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide

N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide (PubChem CID 119602529) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide
PubChem CID119602529
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(SCC(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C16H24N2O2S/c1-2-20-13-6-8-14(9-7-13)21-11-16(19)18-15-5-3-4-12(15)10-17/h6-9,12,15H,2-5,10-11,17H2,1H3,(H,18,19)
InChIKeyGQRHQJMAIYLGLJ-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.42
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)acetamide;hydrochloride
CID 119600531
N-[2-(aminomethyl)cyclohexyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119610949
N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 119609155
N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 119604496
N-[2-(aminomethyl)cyclohexyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 119611368
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethylphenoxy)acetamide
CID 119601137
N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide
CID 83202111
N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide
CID 119609351
N-[2-(aminomethyl)cyclohexyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide;hydrochloride
CID 119611787
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride
CID 119601169
N-[2-(aminomethyl)cyclohexyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 119610524

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide (CID 119602529) is N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide is CCOc1ccc(SCC(=O)NC2CCCC2CN)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide?
The InChIKey is GQRHQJMAIYLGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-20-13-6-8-14(9-7-13)21-11-16(19)18-15-5-3-4-12(15)10-17/h6-9,12,15H,2-5,10-11,17H2,1H3,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide?
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide has a molecular weight of 308.45 g/mol, XLogP of 2.42, 7 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-(4-ethoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 119602529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).