[1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol

C16H25NOS — CID 79582101

IUPAC[1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol
SMILESCc1cccc(CSCCC2CCCC2(N)CO)c1
InChIInChI=1S/C16H25NOS/c1-13-4-2-5-14(10-13)11-19-9-7-15-6-3-8-16(15,17)12-18/h2,4-5,10,15,18H,3,6-9,11-12,17H2,1H3
InChIKeyFYTKOBDPEDNTAL-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.11
Rot. Bonds6

About [1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol

[1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol (PubChem CID 79582101) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is [1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol
PubChem CID79582101
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name[1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol
SMILESCc1cccc(CSCCC2CCCC2(N)CO)c1
InChIInChI=1S/C16H25NOS/c1-13-4-2-5-14(10-13)11-19-9-7-15-6-3-8-16(15,17)12-18/h2,4-5,10,15,18H,3,6-9,11-12,17H2,1H3
InChIKeyFYTKOBDPEDNTAL-UHFFFAOYSA-N
XLogP3.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.11
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

[1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol
CID 79581557
1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide
CID 79582691
2-(cyclopropylamino)-2-methyl-5-[(3-methylphenyl)methylsulfanyl]pentan-1-ol
CID 64808398
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine
CID 55112789
4-[(3-methylphenyl)methylsulfanyl]butanoic acid
CID 60644612
methyl 1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylate
CID 114791644
1-[2-[(3-methylphenyl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid
CID 63032493
[1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581045
trans-(1S,2R)-2-amino-1-[(3-methylphenyl)methyl]cycloheptane-1-carboxylic acid
CID 138969232
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
1-(azepan-1-yl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 60634792
[2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587314

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol (CID 79582101) is [1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol is Cc1cccc(CSCCC2CCCC2(N)CO)c1.
What is the InChIKey of [1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol?
The InChIKey is FYTKOBDPEDNTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-13-4-2-5-14(10-13)11-19-9-7-15-6-3-8-16(15,17)12-18/h2,4-5,10,15,18H,3,6-9,11-12,17H2,1H3.
What are the key properties of [1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol?
[1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol has a molecular weight of 279.45 g/mol, XLogP of 3.11, 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-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79582101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).