[2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol

C15H21Cl2NOS — CID 79581103

IUPAC[2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCSc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H21Cl2NOS/c1-18-15(10-19)7-2-3-11(15)6-8-20-14-9-12(16)4-5-13(14)17/h4-5,9,11,18-19H,2-3,6-8,10H2,1H3
InChIKeyAIXNOJQLXNVVLX-UHFFFAOYSA-N
MW334.31 g/mol
LogP4.23
Rot. Bonds6

About [2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol

[2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol (PubChem CID 79581103) has the molecular formula C15H21Cl2NOS and a molecular weight of 334.31 g/mol. Its IUPAC name is [2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol
PubChem CID79581103
Molecular FormulaC15H21Cl2NOS
Molecular Weight334.31 g/mol
Exact Mass333.07
IUPAC Name[2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCSc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H21Cl2NOS/c1-18-15(10-19)7-2-3-11(15)6-8-20-14-9-12(16)4-5-13(14)17/h4-5,9,11,18-19H,2-3,6-8,10H2,1H3
InChIKeyAIXNOJQLXNVVLX-UHFFFAOYSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol
CID 79582100
2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79577396
[2-[2-(2-chlorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587180
[2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol
CID 79587344
[2-[2-(2-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587304
[2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol
CID 79587174
[1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79582029
[2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587185
[2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587314
2-[2-(2,5-difluorophenyl)sulfanylethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79587585
[1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581651
[1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol
CID 107764649

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol (CID 79581103) is [2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol is CNC1(CO)CCCC1CCSc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol?
The InChIKey is AIXNOJQLXNVVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NOS/c1-18-15(10-19)7-2-3-11(15)6-8-20-14-9-12(16)4-5-13(14)17/h4-5,9,11,18-19H,2-3,6-8,10H2,1H3.
What are the key properties of [2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol?
[2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol has a molecular weight of 334.31 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol is sourced from PubChem (CID 79581103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).