2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine

C16H24BrNOS — CID 104754578

IUPAC2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine
SMILESCCNC(CS(=O)c1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C16H24BrNOS/c1-2-18-16(13-6-4-3-5-7-13)12-20(19)15-10-8-14(17)9-11-15/h8-11,13,16,18H,2-7,12H2,1H3
InChIKeyNPESUJMDIWDSJY-UHFFFAOYSA-N
MW358.35 g/mol
LogP4.12
Rot. Bonds6

About 2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine

2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine (PubChem CID 104754578) has the molecular formula C16H24BrNOS and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine
PubChem CID104754578
Molecular FormulaC16H24BrNOS
Molecular Weight358.35 g/mol
Exact Mass357.08
IUPAC Name2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine
SMILESCCNC(CS(=O)c1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C16H24BrNOS/c1-2-18-16(13-6-4-3-5-7-13)12-20(19)15-10-8-14(17)9-11-15/h8-11,13,16,18H,2-7,12H2,1H3
InChIKeyNPESUJMDIWDSJY-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine
CID 104754647
1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine
CID 64653227
N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754297
1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine
CID 104754519
2-(4-bromophenyl)sulfinyl-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104754586
N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine
CID 104754394
1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine
CID 104754680
N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine
CID 104754748
N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
CID 64659173
N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine
CID 63478195
N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754287
1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine
CID 64660071

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine?
The IUPAC name of 2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine (CID 104754578) is 2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine?
The canonical SMILES for 2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine is CCNC(CS(=O)c1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of 2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine?
The InChIKey is NPESUJMDIWDSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNOS/c1-2-18-16(13-6-4-3-5-7-13)12-20(19)15-10-8-14(17)9-11-15/h8-11,13,16,18H,2-7,12H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine?
2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine has a molecular weight of 358.35 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine is sourced from PubChem (CID 104754578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).