2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine

C17H26BrNOS — CID 64657799

IUPAC2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1S(=O)c1cccc(Br)c1
InChIInChI=1S/C17H26BrNOS/c1-17(2,3)12-8-9-15(19-4)16(10-12)21(20)14-7-5-6-13(18)11-14/h5-7,11-12,15-16,19H,8-10H2,1-4H3
InChIKeyOBBLDJKWKJGVJU-UHFFFAOYSA-N
MW372.37 g/mol
LogP4.36
Rot. Bonds3

About 2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine

2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine (PubChem CID 64657799) has the molecular formula C17H26BrNOS and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine
PubChem CID64657799
Molecular FormulaC17H26BrNOS
Molecular Weight372.37 g/mol
Exact Mass371.09
IUPAC Name2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1S(=O)c1cccc(Br)c1
InChIInChI=1S/C17H26BrNOS/c1-17(2,3)12-8-9-15(19-4)16(10-12)21(20)14-7-5-6-13(18)11-14/h5-7,11-12,15-16,19H,8-10H2,1-4H3
InChIKeyOBBLDJKWKJGVJU-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-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

3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine
CID 64723864
2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64658970
3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine
CID 64716545
2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658968
N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine
CID 115478131
2-(3-bromophenyl)sulfinylcyclopentan-1-amine
CID 64659560
[2-(3-bromophenyl)sulfinylcyclohexyl]methanamine
CID 81334124
3-(3-bromophenyl)sulfinyloxan-4-amine
CID 64659555
3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane
CID 167494047
1-bromo-3-[(5-tert-butyl-2-chlorocyclohexyl)methyl]benzene
CID 63459699
3-bromo-N-(4-tert-butylcyclohexyl)aniline
CID 28546222
4-tert-butyl-2-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 63401443

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine (CID 64657799) is 2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine is CNC1CCC(C(C)(C)C)CC1S(=O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine?
The InChIKey is OBBLDJKWKJGVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNOS/c1-17(2,3)12-8-9-15(19-4)16(10-12)21(20)14-7-5-6-13(18)11-14/h5-7,11-12,15-16,19H,8-10H2,1-4H3.
What are the key properties of 2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine?
2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine has a molecular weight of 372.37 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 64657799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).