[2-(3-bromophenyl)sulfinylcyclohexyl]methanamine

C13H18BrNOS — CID 81334124

IUPAC[2-(3-bromophenyl)sulfinylcyclohexyl]methanamine
SMILESNCC1CCCCC1S(=O)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNOS/c14-11-5-3-6-12(8-11)17(16)13-7-2-1-4-10(13)9-15/h3,5-6,8,10,13H,1-2,4,7,9,15H2
InChIKeyLNAOCZDMLYTOJU-UHFFFAOYSA-N
MW316.26 g/mol
LogP3.07
Rot. Bonds3

About [2-(3-bromophenyl)sulfinylcyclohexyl]methanamine

[2-(3-bromophenyl)sulfinylcyclohexyl]methanamine (PubChem CID 81334124) has the molecular formula C13H18BrNOS and a molecular weight of 316.26 g/mol. Its IUPAC name is [2-(3-bromophenyl)sulfinylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3-bromophenyl)sulfinylcyclohexyl]methanamine
PubChem CID81334124
Molecular FormulaC13H18BrNOS
Molecular Weight316.26 g/mol
Exact Mass315.03
IUPAC Name[2-(3-bromophenyl)sulfinylcyclohexyl]methanamine
SMILESNCC1CCCCC1S(=O)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNOS/c14-11-5-3-6-12(8-11)17(16)13-7-2-1-4-10(13)9-15/h3,5-6,8,10,13H,1-2,4,7,9,15H2
InChIKeyLNAOCZDMLYTOJU-UHFFFAOYSA-N
XLogP3.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(cyclohexylmethyl)benzenesulfonamide
CID 2568065
2-(3-Bromophenyl)sulfanyl-2-(4-fluorophenyl)ethanamine
CID 62804417
2-(3-Bromophenyl)sulfanyl-2-(2-fluorophenyl)ethanamine
CID 62804418
2-(3-Bromophenyl)sulfanyl-2-(3-fluorophenyl)ethanamine
CID 62805510
[2-(4-Fluorophenyl)sulfinylcyclohexyl]methanamine
CID 81328707
[2-(2-Fluorophenyl)sulfinylcyclohexyl]methanamine
CID 81329418
[2-(3-Fluorophenyl)sulfinylcyclohexyl]methanamine
CID 81334271
2-[(3-Bromophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine
CID 103372587
5-bromo-1-oxo-3,4-dihydro-2H-thiochromen-3-amine
CID 19427098
4-[2-(3-Bromophenyl)sulfonylethyl]piperidine
CID 57195394
3-(3-Bromophenyl)sulfonylpentan-1-amine
CID 64698265
1-Bromo-3-(cyclohexylmethylsulfinyl)benzene
CID 67130308

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)sulfinylcyclohexyl]methanamine?
The IUPAC name of [2-(3-bromophenyl)sulfinylcyclohexyl]methanamine (CID 81334124) is [2-(3-bromophenyl)sulfinylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3-bromophenyl)sulfinylcyclohexyl]methanamine?
The canonical SMILES for [2-(3-bromophenyl)sulfinylcyclohexyl]methanamine is NCC1CCCCC1S(=O)c1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)sulfinylcyclohexyl]methanamine?
The InChIKey is LNAOCZDMLYTOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNOS/c14-11-5-3-6-12(8-11)17(16)13-7-2-1-4-10(13)9-15/h3,5-6,8,10,13H,1-2,4,7,9,15H2.
What are the key properties of [2-(3-bromophenyl)sulfinylcyclohexyl]methanamine?
[2-(3-bromophenyl)sulfinylcyclohexyl]methanamine has a molecular weight of 316.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)sulfinylcyclohexyl]methanamine is sourced from PubChem (CID 81334124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).