4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine

C12H18BrNOS — CID 64702612

IUPAC4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine
SMILESCNC(C)CC(C)S(=O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNOS/c1-9(14-3)7-10(2)16(15)12-6-4-5-11(13)8-12/h4-6,8-10,14H,7H2,1-3H3
InChIKeyITFOUZITGZJYMD-UHFFFAOYSA-N
MW304.25 g/mol
LogP2.94
Rot. Bonds5

About 4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine

4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine (PubChem CID 64702612) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine
PubChem CID64702612
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine
SMILESCNC(C)CC(C)S(=O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNOS/c1-9(14-3)7-10(2)16(15)12-6-4-5-11(13)8-12/h4-6,8-10,14H,7H2,1-3H3
InChIKeyITFOUZITGZJYMD-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine
CID 64658579
4-(3-bromophenyl)sulfinylpentan-2-one
CID 64705238
2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64657800
1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine
CID 64657409
4-(3-bromophenyl)sulfanyl-N-methylpentan-2-amine
CID 64704253
2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine
CID 64657598
2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine
CID 64659944
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
3-bromo-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 115763681
5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine
CID 64715737

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine?
The IUPAC name of 4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine (CID 64702612) is 4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine?
The canonical SMILES for 4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine is CNC(C)CC(C)S(=O)c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine?
The InChIKey is ITFOUZITGZJYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-9(14-3)7-10(2)16(15)12-6-4-5-11(13)8-12/h4-6,8-10,14H,7H2,1-3H3.
What are the key properties of 4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine?
4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine has a molecular weight of 304.25 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine is sourced from PubChem (CID 64702612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).