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

C10H14BrNOS — CID 64657406

IUPAC3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine
SMILESCNCCCS(=O)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNOS/c1-12-6-3-7-14(13)10-5-2-4-9(11)8-10/h2,4-5,8,12H,3,6-7H2,1H3
InChIKeyDUFYCUOCMCKENH-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.17
Rot. Bonds5

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

3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine (PubChem CID 64657406) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine
PubChem CID64657406
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine
SMILESCNCCCS(=O)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNOS/c1-12-6-3-7-14(13)10-5-2-4-9(11)8-10/h2,4-5,8,12H,3,6-7H2,1H3
InChIKeyDUFYCUOCMCKENH-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-[(S)-butylsulfinyl]benzene
CID 95969928
3-(4-bromophenyl)sulfinyl-N-methylpropan-1-amine
CID 64652409
3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine
CID 64659138
6-(3-bromophenyl)sulfinylhexan-2-one
CID 64637383
4-(3-bromophenyl)sulfinylbutanenitrile
CID 64690435
2-(3-bromophenyl)sulfinylethanamine
CID 62803372
6-(3-bromophenyl)sulfinylhexan-3-amine
CID 106807869
3-(2-bromophenyl)sulfinyl-N-methylpropan-1-amine
CID 64653060
4-(3-bromophenyl)sulfinylbutan-2-amine
CID 64660137
N-methyl-2-(3-methylphenyl)sulfinylethanamine
CID 64655016
1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine
CID 64658579
2-[2-(3-bromophenyl)sulfinylethyl]aniline
CID 55119913

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine?
The IUPAC name of 3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine (CID 64657406) is 3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine is CNCCCS(=O)c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine?
The InChIKey is DUFYCUOCMCKENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-12-6-3-7-14(13)10-5-2-4-9(11)8-10/h2,4-5,8,12H,3,6-7H2,1H3.
What are the key properties of 3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine?
3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine has a molecular weight of 276.20 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine is sourced from PubChem (CID 64657406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).