[2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol

C17H24ClNOS — CID 79587344

IUPAC[2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol
SMILESOCC1(NC2CC2)CCCC1CCSc1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNOS/c18-14-3-7-16(8-4-14)21-11-9-13-2-1-10-17(13,12-20)19-15-5-6-15/h3-4,7-8,13,15,19-20H,1-2,5-6,9-12H2
InChIKeyBSIBPCWOQGEFPE-UHFFFAOYSA-N
MW325.90 g/mol
LogP4.11
Rot. Bonds7

About [2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol

[2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol (PubChem CID 79587344) has the molecular formula C17H24ClNOS and a molecular weight of 325.90 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol
PubChem CID79587344
Molecular FormulaC17H24ClNOS
Molecular Weight325.90 g/mol
Exact Mass325.13
IUPAC Name[2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol
SMILESOCC1(NC2CC2)CCCC1CCSc1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNOS/c18-14-3-7-16(8-4-14)21-11-9-13-2-1-10-17(13,12-20)19-15-5-6-15/h3-4,7-8,13,15,19-20H,1-2,5-6,9-12H2
InChIKeyBSIBPCWOQGEFPE-UHFFFAOYSA-N
XLogP4.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.90
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol with MolForge

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Related Compounds

[1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581483
[2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol
CID 79587166
[2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol
CID 79582100
[2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587185
[2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol
CID 79581103
2-[2-(4-chlorophenyl)sulfanylethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79588248
[2-[2-(2-chlorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587180
[2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587314
[1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol
CID 79581557
[2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol
CID 79587174
[1-(cyclopropylamino)-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentyl]methanol
CID 79571439
[1-(cyclopropylamino)-2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentyl]methanol
CID 79571729

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol (CID 79587344) is [2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol is OCC1(NC2CC2)CCCC1CCSc1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol?
The InChIKey is BSIBPCWOQGEFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNOS/c18-14-3-7-16(8-4-14)21-11-9-13-2-1-10-17(13,12-20)19-15-5-6-15/h3-4,7-8,13,15,19-20H,1-2,5-6,9-12H2.
What are the key properties of [2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol?
[2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol has a molecular weight of 325.90 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol is sourced from PubChem (CID 79587344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).