2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine

C16H24BrNO2S — CID 64644849

IUPAC2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C16H24BrNO2S/c1-3-10-18-14-9-8-12(2)11-16(14)21(19,20)15-7-5-4-6-13(15)17/h4-7,12,14,16,18H,3,8-11H2,1-2H3
InChIKeyQEDQKVKQGXTTQI-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.78
Rot. Bonds5

About 2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine

2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine (PubChem CID 64644849) has the molecular formula C16H24BrNO2S and a molecular weight of 374.34 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine
PubChem CID64644849
Molecular FormulaC16H24BrNO2S
Molecular Weight374.34 g/mol
Exact Mass373.07
IUPAC Name2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C16H24BrNO2S/c1-3-10-18-14-9-8-12(2)11-16(14)21(19,20)15-7-5-4-6-13(15)17/h4-7,12,14,16,18H,3,8-11H2,1-2H3
InChIKeyQEDQKVKQGXTTQI-UHFFFAOYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfonyl-4-methyl-N-propylcyclohexan-1-amine
CID 64645166
4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine
CID 62784580
3-(2-bromophenyl)sulfonyl-N-ethyloxan-4-amine
CID 64644847
N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine
CID 64674992
2-(2-bromophenyl)sulfonyl-N-methylcyclooctan-1-amine
CID 64647628
2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64676411
2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
CID 64752891
2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide
CID 43454559
2-[(3-bromothiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63403351
2-(2-bromophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
CID 64645249
2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine
CID 64651402
2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 64613092

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine (CID 64644849) is 2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine?
The InChIKey is QEDQKVKQGXTTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2S/c1-3-10-18-14-9-8-12(2)11-16(14)21(19,20)15-7-5-4-6-13(15)17/h4-7,12,14,16,18H,3,8-11H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine?
2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine has a molecular weight of 374.34 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64644849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).