4-(3-bromophenyl)sulfinylbutan-2-amine

C10H14BrNOS — CID 64660137

IUPAC4-(3-bromophenyl)sulfinylbutan-2-amine
SMILESCC(N)CCS(=O)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNOS/c1-8(12)5-6-14(13)10-4-2-3-9(11)7-10/h2-4,7-8H,5-6,12H2,1H3
InChIKeyHFBBVXNZIWEOTC-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.29
Rot. Bonds4

About 4-(3-bromophenyl)sulfinylbutan-2-amine

4-(3-bromophenyl)sulfinylbutan-2-amine (PubChem CID 64660137) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfinylbutan-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfinylbutan-2-amine
PubChem CID64660137
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name4-(3-bromophenyl)sulfinylbutan-2-amine
SMILESCC(N)CCS(=O)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNOS/c1-8(12)5-6-14(13)10-4-2-3-9(11)7-10/h2-4,7-8H,5-6,12H2,1H3
InChIKeyHFBBVXNZIWEOTC-UHFFFAOYSA-N
XLogP2.29
TPSA43.09 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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-bromophenyl)sulfinylbutan-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

4-(3-methylphenyl)sulfinylbutan-2-amine
CID 64654610
6-(3-bromophenyl)sulfinylhexan-3-amine
CID 106807869
2-(3-bromophenyl)sulfinylethanamine
CID 62803372
1-bromo-3-[(S)-butylsulfinyl]benzene
CID 95969928
4-(3-bromophenyl)sulfinylbutanenitrile
CID 64690435
3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine
CID 64657406
1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine
CID 64658579
5-(4-bromophenyl)sulfinylpentan-2-amine
CID 64653239
4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine
CID 64659709
2-[2-(3-bromophenyl)sulfinylethyl]aniline
CID 55119913
6-(3-bromophenyl)sulfinylhexan-2-one
CID 64637383
(2S)-4-(3-bromophenyl)butan-2-amine
CID 93264333

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfinylbutan-2-amine?
The IUPAC name of 4-(3-bromophenyl)sulfinylbutan-2-amine (CID 64660137) is 4-(3-bromophenyl)sulfinylbutan-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)sulfinylbutan-2-amine?
The canonical SMILES for 4-(3-bromophenyl)sulfinylbutan-2-amine is CC(N)CCS(=O)c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)sulfinylbutan-2-amine?
The InChIKey is HFBBVXNZIWEOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-8(12)5-6-14(13)10-4-2-3-9(11)7-10/h2-4,7-8H,5-6,12H2,1H3.
What are the key properties of 4-(3-bromophenyl)sulfinylbutan-2-amine?
4-(3-bromophenyl)sulfinylbutan-2-amine has a molecular weight of 276.20 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfinylbutan-2-amine is sourced from PubChem (CID 64660137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).