1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile

C15H22N4S — CID 79576943

IUPAC1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile
SMILESCn1ccnc1SCCC1CCCC1(C#N)NC1CC1
InChIInChI=1S/C15H22N4S/c1-19-9-8-17-14(19)20-10-6-12-3-2-7-15(12,11-16)18-13-4-5-13/h8-9,12-13,18H,2-7,10H2,1H3
InChIKeyDFCDJSNQPFMLFV-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.72
Rot. Bonds6

About 1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile

1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile (PubChem CID 79576943) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile
PubChem CID79576943
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile
SMILESCn1ccnc1SCCC1CCCC1(C#N)NC1CC1
InChIInChI=1S/C15H22N4S/c1-19-9-8-17-14(19)20-10-6-12-3-2-7-15(12,11-16)18-13-4-5-13/h8-9,12-13,18H,2-7,10H2,1H3
InChIKeyDFCDJSNQPFMLFV-UHFFFAOYSA-N
XLogP2.72
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylamino)-2-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile
CID 79576395
1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79573266
[2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol
CID 79581049
1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
CID 79577380
2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79586391
1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile
CID 104960206
2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79576357
2-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578195
2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 115561403
1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79570317
1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572034
2-[2-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79577540

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile (CID 79576943) is 1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile is Cn1ccnc1SCCC1CCCC1(C#N)NC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile?
The InChIKey is DFCDJSNQPFMLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-19-9-8-17-14(19)20-10-6-12-3-2-7-15(12,11-16)18-13-4-5-13/h8-9,12-13,18H,2-7,10H2,1H3.
What are the key properties of 1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile has a molecular weight of 290.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79576943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).