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

C16H24BrNO2S — CID 64646653

IUPAC2-(4-bromophenyl)sulfonyl-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C16H24BrNO2S/c1-3-4-12-5-10-15(18-2)16(11-12)21(19,20)14-8-6-13(17)7-9-14/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3
InChIKeyRFXXUBLMWOOOFK-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.78
Rot. Bonds5

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

2-(4-bromophenyl)sulfonyl-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 64646653) has the molecular formula C16H24BrNO2S and a molecular weight of 374.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-N-methyl-4-propylcyclohexan-1-amine
PubChem CID64646653
Molecular FormulaC16H24BrNO2S
Molecular Weight374.34 g/mol
Exact Mass373.07
IUPAC Name2-(4-bromophenyl)sulfonyl-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C16H24BrNO2S/c1-3-4-12-5-10-15(18-2)16(11-12)21(19,20)14-8-6-13(17)7-9-14/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3
InChIKeyRFXXUBLMWOOOFK-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-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 64645859
2-(benzenesulfonyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 62917554
N-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine
CID 107758549
2-(benzenesulfonyl)-4-propylcyclohexan-1-amine
CID 62918050
2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64647537
2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645455
3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64716929
N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727245
2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64676122
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63403329
2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64639422
2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638589

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-N-methyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-N-methyl-4-propylcyclohexan-1-amine (CID 64646653) is 2-(4-bromophenyl)sulfonyl-N-methyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-N-methyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-N-methyl-4-propylcyclohexan-1-amine is CCCC1CCC(NC)C(S(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-N-methyl-4-propylcyclohexan-1-amine?
The InChIKey is RFXXUBLMWOOOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2S/c1-3-4-12-5-10-15(18-2)16(11-12)21(19,20)14-8-6-13(17)7-9-14/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)sulfonyl-N-methyl-4-propylcyclohexan-1-amine?
2-(4-bromophenyl)sulfonyl-N-methyl-4-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-(4-bromophenyl)sulfonyl-N-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 64646653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).