2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide

C13H24N2OS — CID 113267227

IUPAC2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide
SMILESCCSC1CCC(NC(=O)C2CCCC2N)C1
InChIInChI=1S/C13H24N2OS/c1-2-17-10-7-6-9(8-10)15-13(16)11-4-3-5-12(11)14/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyWTDUUGAAHDHDAY-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.90
Rot. Bonds4

About 2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide

2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide (PubChem CID 113267227) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide
PubChem CID113267227
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide
SMILESCCSC1CCC(NC(=O)C2CCCC2N)C1
InChIInChI=1S/C13H24N2OS/c1-2-17-10-7-6-9(8-10)15-13(16)11-4-3-5-12(11)14/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyWTDUUGAAHDHDAY-UHFFFAOYSA-N
XLogP1.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide
CID 114123155
2-amino-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103797921
3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030768
(1R,2R,4S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98201300
2-amino-N-cyclohexylcyclopentane-1-carboxamide
CID 64817156
2-amino-N-(3-ethylsulfanylcyclohexyl)acetamide;hydrochloride
CID 119343755
2-amino-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 64824596
2-amino-N-cyclopentylcyclohexane-1-carboxamide
CID 62777872
2-amino-N-cyclooctylcyclohexane-1-carboxamide
CID 62775417
N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide
CID 103713860
1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 103715144
2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide
CID 114123170

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide (CID 113267227) is 2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide is CCSC1CCC(NC(=O)C2CCCC2N)C1.
What is the InChIKey of 2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide?
The InChIKey is WTDUUGAAHDHDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-2-17-10-7-6-9(8-10)15-13(16)11-4-3-5-12(11)14/h9-12H,2-8,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide?
2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide has a molecular weight of 256.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 113267227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).