N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide

C15H21N3O2S — CID 119600661

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide
SMILESNCC1CCCC1NC(=O)c1ccccc1SCC(N)=O
InChIInChI=1S/C15H21N3O2S/c16-8-10-4-3-6-12(10)18-15(20)11-5-1-2-7-13(11)21-9-14(17)19/h1-2,5,7,10,12H,3-4,6,8-9,16H2,(H2,17,19)(H,18,20)
InChIKeyRHXMAEUMVWYUQX-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.12
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide

N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide (PubChem CID 119600661) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide
PubChem CID119600661
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide
SMILESNCC1CCCC1NC(=O)c1ccccc1SCC(N)=O
InChIInChI=1S/C15H21N3O2S/c16-8-10-4-3-6-12(10)18-15(20)11-5-1-2-7-13(11)21-9-14(17)19/h1-2,5,7,10,12H,3-4,6,8-9,16H2,(H2,17,19)(H,18,20)
InChIKeyRHXMAEUMVWYUQX-UHFFFAOYSA-N
XLogP1.12
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119602483
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119602474
2-(2-amino-2-oxoethyl)sulfanyl-N-cyclopentylbenzamide
CID 37345038
N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 119600746
N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
CID 119600745
N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 119602591
N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide
CID 119604933
N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
CID 119600470
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide
CID 119601875
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclopentyl]-2-anilinobenzamide
CID 119601108

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide (CID 119600661) is N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide is NCC1CCCC1NC(=O)c1ccccc1SCC(N)=O.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide?
The InChIKey is RHXMAEUMVWYUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c16-8-10-4-3-6-12(10)18-15(20)11-5-1-2-7-13(11)21-9-14(17)19/h1-2,5,7,10,12H,3-4,6,8-9,16H2,(H2,17,19)(H,18,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide?
N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide has a molecular weight of 307.42 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide is sourced from PubChem (CID 119600661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).