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

C14H22N4OS — CID 107781838

IUPAC1-(cyclopropylamino)-2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCCC1CCSc1ncc[nH]1
InChIInChI=1S/C14H22N4OS/c15-12(19)14(18-11-3-4-11)6-1-2-10(14)5-9-20-13-16-7-8-17-13/h7-8,10-11,18H,1-6,9H2,(H2,15,19)(H,16,17)
InChIKeyNBUMTQXRIKOQDU-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.67
Rot. Bonds7

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

1-(cyclopropylamino)-2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 107781838) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxamide
PubChem CID107781838
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name1-(cyclopropylamino)-2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCCC1CCSc1ncc[nH]1
InChIInChI=1S/C14H22N4OS/c15-12(19)14(18-11-3-4-11)6-1-2-10(14)5-9-20-13-16-7-8-17-13/h7-8,10-11,18H,1-6,9H2,(H2,15,19)(H,16,17)
InChIKeyNBUMTQXRIKOQDU-UHFFFAOYSA-N
XLogP1.67
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(cyclopropylamino)-2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxamide (CID 107781838) is 1-(cyclopropylamino)-2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(cyclopropylamino)-2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(cyclopropylamino)-2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxamide is NC(=O)C1(NC2CC2)CCCC1CCSc1ncc[nH]1.
What is the InChIKey of 1-(cyclopropylamino)-2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is NBUMTQXRIKOQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c15-12(19)14(18-11-3-4-11)6-1-2-10(14)5-9-20-13-16-7-8-17-13/h7-8,10-11,18H,1-6,9H2,(H2,15,19)(H,16,17).
What are the key properties of 1-(cyclopropylamino)-2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxamide?
1-(cyclopropylamino)-2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 107781838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).