2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol

C16H25NOS — CID 79866781

IUPAC2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol
SMILESCC1(C)CCC(CN)(CCSc2ccccc2)C1O
InChIInChI=1S/C16H25NOS/c1-15(2)8-9-16(12-17,14(15)18)10-11-19-13-6-4-3-5-7-13/h3-7,14,18H,8-12,17H2,1-2H3
InChIKeyNELUNWJIMDORRH-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.29
Rot. Bonds5

About 2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol

2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol (PubChem CID 79866781) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol
PubChem CID79866781
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol
SMILESCC1(C)CCC(CN)(CCSc2ccccc2)C1O
InChIInChI=1S/C16H25NOS/c1-15(2)8-9-16(12-17,14(15)18)10-11-19-13-6-4-3-5-7-13/h3-7,14,18H,8-12,17H2,1-2H3
InChIKeyNELUNWJIMDORRH-UHFFFAOYSA-N
XLogP3.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol?
The IUPAC name of 2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol (CID 79866781) is 2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol is CC1(C)CCC(CN)(CCSc2ccccc2)C1O.
What is the InChIKey of 2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol?
The InChIKey is NELUNWJIMDORRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-15(2)8-9-16(12-17,14(15)18)10-11-19-13-6-4-3-5-7-13/h3-7,14,18H,8-12,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol?
2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol has a molecular weight of 279.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol is sourced from PubChem (CID 79866781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).