2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide

C14H24N4OS — CID 107781978

IUPAC2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC1CCSc1ncc[nH]1
InChIInChI=1S/C14H24N4OS/c1-2-7-18-14(12(15)19)6-3-4-11(14)5-10-20-13-16-8-9-17-13/h8-9,11,18H,2-7,10H2,1H3,(H2,15,19)(H,16,17)
InChIKeyVVHXTBKEVZXMBC-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.92
Rot. Bonds8

About 2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide

2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide (PubChem CID 107781978) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
PubChem CID107781978
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC1CCSc1ncc[nH]1
InChIInChI=1S/C14H24N4OS/c1-2-7-18-14(12(15)19)6-3-4-11(14)5-10-20-13-16-8-9-17-13/h8-9,11,18H,2-7,10H2,1H3,(H2,15,19)(H,16,17)
InChIKeyVVHXTBKEVZXMBC-UHFFFAOYSA-N
XLogP1.92
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide (CID 107781978) is 2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide is CCCNC1(C(N)=O)CCCC1CCSc1ncc[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The InChIKey is VVHXTBKEVZXMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-2-7-18-14(12(15)19)6-3-4-11(14)5-10-20-13-16-8-9-17-13/h8-9,11,18H,2-7,10H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of 2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 1.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 107781978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).