1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol

C16H25NOS — CID 79587898

IUPAC1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol
SMILESCc1ccccc1CSCCC1CCCC1(O)CN
InChIInChI=1S/C16H25NOS/c1-13-5-2-3-6-14(13)11-19-10-8-15-7-4-9-16(15,18)12-17/h2-3,5-6,15,18H,4,7-12,17H2,1H3
InChIKeyISEUQVGOWSSSPW-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.11
Rot. Bonds6

About 1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol (PubChem CID 79587898) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol
PubChem CID79587898
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol
SMILESCc1ccccc1CSCCC1CCCC1(O)CN
InChIInChI=1S/C16H25NOS/c1-13-5-2-3-6-14(13)11-19-10-8-15-7-4-9-16(15,18)12-17/h2-3,5-6,15,18H,4,7-12,17H2,1H3
InChIKeyISEUQVGOWSSSPW-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-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide
CID 79582691
1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol
CID 79588148
1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol
CID 79587572
1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid
CID 103289705
1-(aminomethyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-ol
CID 79587253
1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol
CID 79587863
1-(aminomethyl)-2-[2-(2,4-dimethylphenoxy)ethyl]cyclopentan-1-ol
CID 79586548
1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol
CID 79587574
1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol
CID 79587114
N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 62770210
1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol
CID 79587895
1-(aminomethyl)-2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclopentan-1-ol
CID 79588423

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol (CID 79587898) is 1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol is Cc1ccccc1CSCCC1CCCC1(O)CN.
What is the InChIKey of 1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol?
The InChIKey is ISEUQVGOWSSSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-13-5-2-3-6-14(13)11-19-10-8-15-7-4-9-16(15,18)12-17/h2-3,5-6,15,18H,4,7-12,17H2,1H3.
What are the key properties of 1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol 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-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79587898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).