4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide

C11H18N2OS — CID 142604028

IUPAC4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide
SMILESCNCC(C)NS(=O)c1ccc(C)cc1
InChIInChI=1S/C11H18N2OS/c1-9-4-6-11(7-5-9)15(14)13-10(2)8-12-3/h4-7,10,12-13H,8H2,1-3H3
InChIKeyAIXYPZGLOMIOMS-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.22
Rot. Bonds5

About 4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide

4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide (PubChem CID 142604028) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide.

Molecular Properties

Compound Name4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide
PubChem CID142604028
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide
SMILESCNCC(C)NS(=O)c1ccc(C)cc1
InChIInChI=1S/C11H18N2OS/c1-9-4-6-11(7-5-9)15(14)13-10(2)8-12-3/h4-7,10,12-13H,8H2,1-3H3
InChIKeyAIXYPZGLOMIOMS-UHFFFAOYSA-N
XLogP1.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane
CID 142604034
N-methyl-5-(4-methylphenyl)sulfinylpentan-2-amine
CID 64658081
4-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]benzenesulfinamide
CID 102397854
(S)-N-[(1R,2S)-1-dimethoxyphosphoryl-2-hydroxypropyl]-4-methylbenzenesulfinamide
CID 11067199
1-(4-methylphenyl)sulfinyl-3-(propan-2-ylamino)propan-2-ol
CID 115476871
N-methyl-2-[3-methyl-1-[(4-methylphenyl)sulfinylamino]butyl]-1,3-dithiolane-2-carboxamide
CID 75077800
4-methyl-N-[(1S)-4,4,4-trifluoro-1-isocyano-2-(2,2,2-trifluoroethyl)butyl]benzenesulfinamide
CID 87453192
(2R,3S)-N-methoxy-N,2-dimethyl-3-[(4-methylphenyl)sulfinylamino]pentanamide
CID 102085256
ethyl (3S)-2,2-difluoro-4-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]pentanoate
CID 11088911
N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide
CID 69078981
[(4-methylphenyl)sulfinylamino]phosphonous acid
CID 167063351
(S)-N-[(1R)-2-dimethoxyphosphoryl-1-phenylethyl]-4-methylbenzenesulfinamide
CID 10992203

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide?
The IUPAC name of 4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide (CID 142604028) is 4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide.
What is the SMILES notation for 4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide?
The canonical SMILES for 4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide is CNCC(C)NS(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide?
The InChIKey is AIXYPZGLOMIOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-4-6-11(7-5-9)15(14)13-10(2)8-12-3/h4-7,10,12-13H,8H2,1-3H3.
What are the key properties of 4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide?
4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide has a molecular weight of 226.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide is sourced from PubChem (CID 142604028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).