N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide

C12H20N2O2S — CID 82949892

IUPACN-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC(C)CN(C)C
InChIInChI=1S/C12H20N2O2S/c1-10-7-5-6-8-12(10)17(15,16)13-11(2)9-14(3)4/h5-8,11,13H,9H2,1-4H3
InChIKeyXLKZPWKEAPAAOI-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.22
Rot. Bonds5

About N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide

N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide (PubChem CID 82949892) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
PubChem CID82949892
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC(C)CN(C)C
InChIInChI=1S/C12H20N2O2S/c1-10-7-5-6-8-12(10)17(15,16)13-11(2)9-14(3)4/h5-8,11,13H,9H2,1-4H3
InChIKeyXLKZPWKEAPAAOI-UHFFFAOYSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945773
3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 106074393
N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106074318
N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide
CID 77077329
5-amino-4-bromo-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 114626035
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 79023963
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82950147
N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
CID 82939246
2-methyl-N-(2-methylpropoxy)benzenesulfonamide
CID 82714903
N-(1-chloro-4-methylpentan-3-yl)-2-methylbenzenesulfonamide
CID 106356413
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide
CID 81241641
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-methylbenzenesulfonamide
CID 110284609

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide (CID 82949892) is N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NC(C)CN(C)C.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is XLKZPWKEAPAAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-10-7-5-6-8-12(10)17(15,16)13-11(2)9-14(3)4/h5-8,11,13H,9H2,1-4H3.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide?
N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 82949892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).