N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine

C15H22BrNO2S — CID 81381403

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine
SMILESC[C@@H](NC1CCCC(S(C)(=O)=O)C1)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO2S/c1-11(12-5-3-6-13(16)9-12)17-14-7-4-8-15(10-14)20(2,18)19/h3,5-6,9,11,14-15,17H,4,7-8,10H2,1-2H3/t11-,14?,15?/m1/s1
InChIKeyFJYKDXQDRYENHW-VCANKDNSSA-N
MW360.32 g/mol
LogP3.46
Rot. Bonds4

About N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine

N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine (PubChem CID 81381403) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine
PubChem CID81381403
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine
SMILESC[C@@H](NC1CCCC(S(C)(=O)=O)C1)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO2S/c1-11(12-5-3-6-13(16)9-12)17-14-7-4-8-15(10-14)20(2,18)19/h3,5-6,9,11,14-15,17H,4,7-8,10H2,1-2H3/t11-,14?,15?/m1/s1
InChIKeyFJYKDXQDRYENHW-VCANKDNSSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448653
N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43244142
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81381610
N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81381354
4-[1-(3-bromophenyl)ethylamino]azepan-2-one
CID 63903898
N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine
CID 81399415
1-N-[(1S)-1-(3-bromophenyl)ethyl]cyclobutane-1,3-diamine
CID 81382055
N-[1-(3-bromophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43426726
N-[(1S)-1-(3-bromophenyl)ethyl]-1,1-dioxothian-3-amine
CID 81382661
N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210641
3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 79002828

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine (CID 81381403) is N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine is C[C@@H](NC1CCCC(S(C)(=O)=O)C1)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine?
The InChIKey is FJYKDXQDRYENHW-VCANKDNSSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-11(12-5-3-6-13(16)9-12)17-14-7-4-8-15(10-14)20(2,18)19/h3,5-6,9,11,14-15,17H,4,7-8,10H2,1-2H3/t11-,14?,15?/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine?
N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine has a molecular weight of 360.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 81381403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).