[2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine

C17H27NOS — CID 81328026

IUPAC[2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine
SMILESCC(C)(C)c1ccc(S(=O)C2CCCCC2CN)cc1
InChIInChI=1S/C17H27NOS/c1-17(2,3)14-8-10-15(11-9-14)20(19)16-7-5-4-6-13(16)12-18/h8-11,13,16H,4-7,12,18H2,1-3H3
InChIKeyDVTFNDRIDQQLIY-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.61
Rot. Bonds3

About [2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine

[2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine (PubChem CID 81328026) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine
PubChem CID81328026
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name[2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine
SMILESCC(C)(C)c1ccc(S(=O)C2CCCCC2CN)cc1
InChIInChI=1S/C17H27NOS/c1-17(2,3)14-8-10-15(11-9-14)20(19)16-7-5-4-6-13(16)12-18/h8-11,13,16H,4-7,12,18H2,1-3H3
InChIKeyDVTFNDRIDQQLIY-UHFFFAOYSA-N
XLogP3.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Benzylsulfanyl-phenyl)-propylamine
CID 46882993
2-[(4-Methylsulfonylphenyl)-diphenylmethyl]sulfanylethanamine
CID 57326977
2-(4-Tert-butylbenzenesulfonyl)ethan-1-amine
CID 24263921
(4-tert-butylphenyl) N-(4-methylsulfinylbutyl)carbamodithioate
CID 145993454
2-(4-Fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride
CID 45262841
2-(4-Fluorophenyl)-7-(4-methylphenyl)sulfanylheptan-1-amine;hydrochloride
CID 45262872
6-(4-Tert-butylphenyl)sulfanyl-2-(4-fluorophenyl)hexan-1-amine;hydrochloride
CID 45262874
(E)-2-(3-(2,6-dimethylstyryl)phenyl-sulfinyl)ethanamine
CID 57766544
2-(4-Methanesulfonylphenyl)propan-1-amine hydrochloride
CID 71757166
2-(4-Methylbenzenesulfinyl)ethan-1-amine hydrochloride
CID 146049473
4-tert-butyl-N-(cyclohexylmethyl)benzenesulfonamide
CID 19684265
4-methyl-N-(4-phenylsulfanyloctyl)benzenesulfonamide
CID 150838366

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine?
The IUPAC name of [2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine (CID 81328026) is [2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine.
What is the SMILES notation for [2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine?
The canonical SMILES for [2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine is CC(C)(C)c1ccc(S(=O)C2CCCCC2CN)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine?
The InChIKey is DVTFNDRIDQQLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-17(2,3)14-8-10-15(11-9-14)20(19)16-7-5-4-6-13(16)12-18/h8-11,13,16H,4-7,12,18H2,1-3H3.
What are the key properties of [2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine?
[2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine has a molecular weight of 293.48 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine is sourced from PubChem (CID 81328026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).