1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide

C17H24N2OS — CID 60867038

IUPAC1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2ccccc2SC2CCCC2)CCCC1
InChIInChI=1S/C17H24N2OS/c18-17(11-5-6-12-17)16(20)19-14-9-3-4-10-15(14)21-13-7-1-2-8-13/h3-4,9-10,13H,1-2,5-8,11-12,18H2,(H,19,20)
InChIKeyNHOGHRAMLFTERK-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.93
Rot. Bonds4

About 1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide

1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide (PubChem CID 60867038) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide
PubChem CID60867038
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2ccccc2SC2CCCC2)CCCC1
InChIInChI=1S/C17H24N2OS/c18-17(11-5-6-12-17)16(20)19-14-9-3-4-10-15(14)21-13-7-1-2-8-13/h3-4,9-10,13H,1-2,5-8,11-12,18H2,(H,19,20)
InChIKeyNHOGHRAMLFTERK-UHFFFAOYSA-N
XLogP3.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide (CID 60867038) is 1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide is NC1(C(=O)Nc2ccccc2SC2CCCC2)CCCC1.
What is the InChIKey of 1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide?
The InChIKey is NHOGHRAMLFTERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c18-17(11-5-6-12-17)16(20)19-14-9-3-4-10-15(14)21-13-7-1-2-8-13/h3-4,9-10,13H,1-2,5-8,11-12,18H2,(H,19,20).
What are the key properties of 1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide?
1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 60867038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).