N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine

C14H20BrNO2S — CID 75471725

IUPACN-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCCC1NCc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2S/c1-19(17,18)14-5-3-2-4-13(14)16-10-11-6-8-12(15)9-7-11/h6-9,13-14,16H,2-5,10H2,1H3
InChIKeyLXTWCRADIIZMJM-UHFFFAOYSA-N
MW346.29 g/mol
LogP2.89
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine

N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine (PubChem CID 75471725) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine
PubChem CID75471725
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC NameN-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCCC1NCc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2S/c1-19(17,18)14-5-3-2-4-13(14)16-10-11-6-8-12(15)9-7-11/h6-9,13-14,16H,2-5,10H2,1H3
InChIKeyLXTWCRADIIZMJM-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 75384290
2-N-[(4-bromophenyl)methyl]-1-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine
CID 71500072
N-[(4-ethoxy-3-methylphenyl)methyl]-2-methylsulfonylcyclohexan-1-amine
CID 75471734
trans-(1R,2R)-N-[(4-ethoxy-3-methylphenyl)methyl]-2-methylsulfonylcyclohexan-1-amine
CID 97334058
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046504
2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645455
N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
N-(furan-2-ylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046629
N,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide
CID 136520483
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
5-bromo-2-methyl-N-(2-methylsulfonylcyclopentyl)aniline
CID 65044140

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine (CID 75471725) is N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine is CS(=O)(=O)C1CCCCC1NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine?
The InChIKey is LXTWCRADIIZMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-19(17,18)14-5-3-2-4-13(14)16-10-11-6-8-12(15)9-7-11/h6-9,13-14,16H,2-5,10H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine?
N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine has a molecular weight of 346.29 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 75471725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).