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

C11H17NOS — CID 64654610

IUPAC4-(3-methylphenyl)sulfinylbutan-2-amine
SMILESCc1cccc(S(=O)CCC(C)N)c1
InChIInChI=1S/C11H17NOS/c1-9-4-3-5-11(8-9)14(13)7-6-10(2)12/h3-5,8,10H,6-7,12H2,1-2H3
InChIKeyILFLEOLJVVTJLO-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.84
Rot. Bonds4

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

4-(3-methylphenyl)sulfinylbutan-2-amine (PubChem CID 64654610) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-(3-methylphenyl)sulfinylbutan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)sulfinylbutan-2-amine
PubChem CID64654610
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name4-(3-methylphenyl)sulfinylbutan-2-amine
SMILESCc1cccc(S(=O)CCC(C)N)c1
InChIInChI=1S/C11H17NOS/c1-9-4-3-5-11(8-9)14(13)7-6-10(2)12/h3-5,8,10H,6-7,12H2,1-2H3
InChIKeyILFLEOLJVVTJLO-UHFFFAOYSA-N
XLogP1.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromophenyl)sulfinylbutan-2-amine
CID 64660137
4-(3-methylphenyl)sulfinylbutan-1-amine
CID 81333367
1-methyl-3-[(S)-3-propan-2-yloxypropylsulfinyl]benzene
CID 99859224
N-methyl-2-(3-methylphenyl)sulfinylethanamine
CID 64655016
4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine
CID 64659709
4-[2-(3-methylphenyl)sulfinylethoxy]aniline
CID 61289269
N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine
CID 64656239
6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine
CID 106808022
3-[2-(3-methylphenyl)sulfinylethoxy]aniline
CID 61288690
4-[(3-methylphenyl)sulfinylmethyl]aniline
CID 55138942
1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one
CID 64640763
1-(diethoxyphosphorylmethylsulfinyl)-3-methylbenzene
CID 71412171

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)sulfinylbutan-2-amine?
The IUPAC name of 4-(3-methylphenyl)sulfinylbutan-2-amine (CID 64654610) is 4-(3-methylphenyl)sulfinylbutan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)sulfinylbutan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)sulfinylbutan-2-amine is Cc1cccc(S(=O)CCC(C)N)c1.
What is the InChIKey of 4-(3-methylphenyl)sulfinylbutan-2-amine?
The InChIKey is ILFLEOLJVVTJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-4-3-5-11(8-9)14(13)7-6-10(2)12/h3-5,8,10H,6-7,12H2,1-2H3.
What are the key properties of 4-(3-methylphenyl)sulfinylbutan-2-amine?
4-(3-methylphenyl)sulfinylbutan-2-amine has a molecular weight of 211.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)sulfinylbutan-2-amine is sourced from PubChem (CID 64654610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).