2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide

C13H26N2OS — CID 79588009

IUPAC2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC1CCSCC
InChIInChI=1S/C13H26N2OS/c1-3-9-15-13(12(14)16)8-5-6-11(13)7-10-17-4-2/h11,15H,3-10H2,1-2H3,(H2,14,16)
InChIKeyLBPCAPPNMJLBEJ-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.15
Rot. Bonds8

About 2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide

2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide (PubChem CID 79588009) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide
PubChem CID79588009
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC1CCSCC
InChIInChI=1S/C13H26N2OS/c1-3-9-15-13(12(14)16)8-5-6-11(13)7-10-17-4-2/h11,15H,3-10H2,1-2H3,(H2,14,16)
InChIKeyLBPCAPPNMJLBEJ-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.15
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

2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79581463
2-[2-(2-hydroxyethylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79587670
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79577899
2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 107781978
methyl 2-[2-(2-methoxyethylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxylate
CID 79586956
2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79566294
2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79586391
2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79564978
1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide
CID 79587817
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79572159
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79582927
2-[2-(dipropylamino)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79576868

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide (CID 79588009) is 2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide is CCCNC1(C(N)=O)CCCC1CCSCC.
What is the InChIKey of 2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide?
The InChIKey is LBPCAPPNMJLBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-3-9-15-13(12(14)16)8-5-6-11(13)7-10-17-4-2/h11,15H,3-10H2,1-2H3,(H2,14,16).
What are the key properties of 2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide?
2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide has a molecular weight of 258.43 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79588009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).