3-amino-N-(1-ethylsulfanylpropan-2-yl)cyclopentane-1-carboxamide

C11H22N2OS — CID 115739907

IUPAC3-amino-N-(1-ethylsulfanylpropan-2-yl)cyclopentane-1-carboxamide
SMILESCCSCC(C)NC(=O)C1CCC(N)C1
InChIInChI=1S/C11H22N2OS/c1-3-15-7-8(2)13-11(14)9-4-5-10(12)6-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyIAORXKOKPMHJCX-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.37
Rot. Bonds5

About 3-amino-N-(1-ethylsulfanylpropan-2-yl)cyclopentane-1-carboxamide

3-amino-N-(1-ethylsulfanylpropan-2-yl)cyclopentane-1-carboxamide (PubChem CID 115739907) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 3-amino-N-(1-ethylsulfanylpropan-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylsulfanylpropan-2-yl)cyclopentane-1-carboxamide
PubChem CID115739907
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name3-amino-N-(1-ethylsulfanylpropan-2-yl)cyclopentane-1-carboxamide
SMILESCCSCC(C)NC(=O)C1CCC(N)C1
InChIInChI=1S/C11H22N2OS/c1-3-15-7-8(2)13-11(14)9-4-5-10(12)6-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyIAORXKOKPMHJCX-UHFFFAOYSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide
CID 104869071
3-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 130163371
3-amino-N-(1-amino-1-oxopropan-2-yl)cyclopentane-1-carboxamide
CID 66031893
(2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 66010236
methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride
CID 119726434
3-amino-N-(3-cyclohexylbutan-2-yl)cyclopentane-1-carboxamide
CID 119809033
3-amino-N-(3-cyclohexylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119809032
3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 119793621
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 103109051
(2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid
CID 66009453
3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclopentane-1-carboxamide
CID 103810507
3-amino-N-(1-cyclopentylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119782445

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylsulfanylpropan-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(1-ethylsulfanylpropan-2-yl)cyclopentane-1-carboxamide (CID 115739907) is 3-amino-N-(1-ethylsulfanylpropan-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(1-ethylsulfanylpropan-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(1-ethylsulfanylpropan-2-yl)cyclopentane-1-carboxamide is CCSCC(C)NC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-(1-ethylsulfanylpropan-2-yl)cyclopentane-1-carboxamide?
The InChIKey is IAORXKOKPMHJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-3-15-7-8(2)13-11(14)9-4-5-10(12)6-9/h8-10H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-N-(1-ethylsulfanylpropan-2-yl)cyclopentane-1-carboxamide?
3-amino-N-(1-ethylsulfanylpropan-2-yl)cyclopentane-1-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylsulfanylpropan-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 115739907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).