1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine

C10H14BrNOS — CID 64658579

IUPAC1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine
SMILESCNC(C)CS(=O)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNOS/c1-8(12-2)7-14(13)10-5-3-4-9(11)6-10/h3-6,8,12H,7H2,1-2H3
InChIKeySOAFKJBERMVKHC-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.16
Rot. Bonds4

About 1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine

1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine (PubChem CID 64658579) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine
PubChem CID64658579
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine
SMILESCNC(C)CS(=O)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNOS/c1-8(12-2)7-14(13)10-5-3-4-9(11)6-10/h3-6,8,12H,7H2,1-2H3
InChIKeySOAFKJBERMVKHC-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)sulfinyl-N-methylpropan-2-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

1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine
CID 64657409
4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine
CID 64702612
4-(3-bromophenyl)sulfinylbutan-2-amine
CID 64660137
3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine
CID 64657406
1-bromo-3-[(S)-butylsulfinyl]benzene
CID 95969928
N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
CID 64659173
2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64657800
1-(3-bromophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol
CID 113317991
2-(3-bromophenyl)sulfinylethanamine
CID 62803372
2-(3-bromophenyl)sulfinylpropanenitrile
CID 64689604
N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine
CID 64656239
4-(3-bromophenyl)sulfinylpentan-2-one
CID 64705238

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine (CID 64658579) is 1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine is CNC(C)CS(=O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine?
The InChIKey is SOAFKJBERMVKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-8(12-2)7-14(13)10-5-3-4-9(11)6-10/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine?
1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine has a molecular weight of 276.20 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine is sourced from PubChem (CID 64658579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).