1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile

C17H21FN2S — CID 79577380

IUPAC1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCCC1CCSc1ccccc1F
InChIInChI=1S/C17H21FN2S/c18-15-5-1-2-6-16(15)21-11-9-13-4-3-10-17(13,12-19)20-14-7-8-14/h1-2,5-6,13-14,20H,3-4,7-11H2
InChIKeyFYPXBERUDMKSKS-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.12
Rot. Bonds6

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

1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile (PubChem CID 79577380) has the molecular formula C17H21FN2S and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
PubChem CID79577380
Molecular FormulaC17H21FN2S
Molecular Weight304.43 g/mol
Exact Mass304.14
IUPAC Name1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCCC1CCSc1ccccc1F
InChIInChI=1S/C17H21FN2S/c18-15-5-1-2-6-16(15)21-11-9-13-4-3-10-17(13,12-19)20-14-7-8-14/h1-2,5-6,13-14,20H,3-4,7-11H2
InChIKeyFYPXBERUDMKSKS-UHFFFAOYSA-N
XLogP4.12
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
CID 79578023
2-[2-(2-bromophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79578175
1-(cyclopropylamino)-2-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile
CID 79576395
2-(2-phenylsulfanylethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79575836
1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile
CID 79576943
2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79577396
[2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol
CID 79587174
1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79573266
1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile
CID 164646003
2-[2-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79577540
1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572034
2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 81265068

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile (CID 79577380) is 1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile is N#CC1(NC2CC2)CCCC1CCSc1ccccc1F.
What is the InChIKey of 1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile?
The InChIKey is FYPXBERUDMKSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2S/c18-15-5-1-2-6-16(15)21-11-9-13-4-3-10-17(13,12-19)20-14-7-8-14/h1-2,5-6,13-14,20H,3-4,7-11H2.
What are the key properties of 1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile has a molecular weight of 304.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79577380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).