1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide

C12H24N2OS — CID 79587862

IUPAC1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide
SMILESCCCCSCCC1CCCC1(N)C(N)=O
InChIInChI=1S/C12H24N2OS/c1-2-3-8-16-9-6-10-5-4-7-12(10,14)11(13)15/h10H,2-9,14H2,1H3,(H2,13,15)
InChIKeyXLYVORFMCNRRGZ-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.89
Rot. Bonds7

About 1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide

1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide (PubChem CID 79587862) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide
PubChem CID79587862
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide
SMILESCCCCSCCC1CCCC1(N)C(N)=O
InChIInChI=1S/C12H24N2OS/c1-2-3-8-16-9-6-10-5-4-7-12(10,14)11(13)15/h10H,2-9,14H2,1H3,(H2,13,15)
InChIKeyXLYVORFMCNRRGZ-UHFFFAOYSA-N
XLogP1.89
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxylate
CID 79586523
1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide
CID 79588205
1-amino-2-(2-heptoxyethyl)cyclopentane-1-carboxamide
CID 79571750
1-amino-2-[2-(2-propoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 79588401
1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide
CID 79582691
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79582927
1-amino-2-[2-[3-(dimethylamino)propyl-methylamino]ethyl]cyclopentane-1-carboxamide
CID 79564237
1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid
CID 79588183
1-amino-2-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 79586848
1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide
CID 79577891
1-amino-2-(2-propan-2-yloxyethyl)cyclopentane-1-carboxamide
CID 79581080
2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide
CID 79588009

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide (CID 79587862) is 1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide is CCCCSCCC1CCCC1(N)C(N)=O.
What is the InChIKey of 1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide?
The InChIKey is XLYVORFMCNRRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-2-3-8-16-9-6-10-5-4-7-12(10,14)11(13)15/h10H,2-9,14H2,1H3,(H2,13,15).
What are the key properties of 1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide?
1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide has a molecular weight of 244.40 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 79587862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).