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

C11H16BrNOS — CID 64657409

IUPAC1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine
SMILESCCC(CS(=O)c1cccc(Br)c1)NC
InChIInChI=1S/C11H16BrNOS/c1-3-10(13-2)8-15(14)11-6-4-5-9(12)7-11/h4-7,10,13H,3,8H2,1-2H3
InChIKeyJLQAQHWHJKMBLR-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.55
Rot. Bonds5

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

1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine (PubChem CID 64657409) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine
PubChem CID64657409
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine
SMILESCCC(CS(=O)c1cccc(Br)c1)NC
InChIInChI=1S/C11H16BrNOS/c1-3-10(13-2)8-15(14)11-6-4-5-9(12)7-11/h4-7,10,13H,3,8H2,1-2H3
InChIKeyJLQAQHWHJKMBLR-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine
CID 64658579
1-bromo-3-[(S)-butylsulfinyl]benzene
CID 95969928
3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine
CID 64657406
N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
CID 64659173
N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine
CID 115478128
6-(3-bromophenyl)sulfinylhexan-3-amine
CID 106807869
N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754297
4-(3-bromophenyl)sulfinylbutan-2-amine
CID 64660137
N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine
CID 64657190
4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine
CID 64702612
2-(3-bromophenyl)sulfinylethanamine
CID 62803372
1-(2,5-dimethylphenyl)sulfinyl-N-methylbutan-2-amine
CID 64659088

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine?
The IUPAC name of 1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine (CID 64657409) is 1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine is CCC(CS(=O)c1cccc(Br)c1)NC.
What is the InChIKey of 1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine?
The InChIKey is JLQAQHWHJKMBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-3-10(13-2)8-15(14)11-6-4-5-9(12)7-11/h4-7,10,13H,3,8H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine?
1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine has a molecular weight of 290.23 g/mol, XLogP of 2.55, 5 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-methylbutan-2-amine is sourced from PubChem (CID 64657409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).