[1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol

C15H22ClNOS — CID 114792963

IUPAC[1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol
SMILESNC1(CO)CCCC1CCSCc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNOS/c16-14-5-3-12(4-6-14)10-19-9-7-13-2-1-8-15(13,17)11-18/h3-6,13,18H,1-2,7-11,17H2
InChIKeyFLVZUFLKSWOZGI-UHFFFAOYSA-N
MW299.87 g/mol
LogP3.45
Rot. Bonds6

About [1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol

[1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol (PubChem CID 114792963) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is [1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol
PubChem CID114792963
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name[1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol
SMILESNC1(CO)CCCC1CCSCc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNOS/c16-14-5-3-12(4-6-14)10-19-9-7-13-2-1-8-15(13,17)11-18/h3-6,13,18H,1-2,7-11,17H2
InChIKeyFLVZUFLKSWOZGI-UHFFFAOYSA-N
XLogP3.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylate
CID 114791644
[1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol
CID 79582101
[1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79581199
[1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol
CID 79581557
trans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 125181100
1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid
CID 103289705
[2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol
CID 79587166
[1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol
CID 79581784
[1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol
CID 79581805
[1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581045
[1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol
CID 79587309
[1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79581722

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol (CID 114792963) is [1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol is NC1(CO)CCCC1CCSCc1ccc(Cl)cc1.
What is the InChIKey of [1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol?
The InChIKey is FLVZUFLKSWOZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c16-14-5-3-12(4-6-14)10-19-9-7-13-2-1-8-15(13,17)11-18/h3-6,13,18H,1-2,7-11,17H2.
What are the key properties of [1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol?
[1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol has a molecular weight of 299.87 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol is sourced from PubChem (CID 114792963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).