N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide

C15H27N3O2S — CID 106073981

IUPACN-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)C(C)CNC(C)C)cc1N(C)C
InChIInChI=1S/C15H27N3O2S/c1-11(2)16-10-13(4)21(19,20)17-14-8-7-12(3)15(9-14)18(5)6/h7-9,11,13,16-17H,10H2,1-6H3
InChIKeyNYOLSZIMPLPAET-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.19
Rot. Bonds7

About N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide

N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106073981) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106073981
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)C(C)CNC(C)C)cc1N(C)C
InChIInChI=1S/C15H27N3O2S/c1-11(2)16-10-13(4)21(19,20)17-14-8-7-12(3)15(9-14)18(5)6/h7-9,11,13,16-17H,10H2,1-6H3
InChIKeyNYOLSZIMPLPAET-UHFFFAOYSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106053288
2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene
CID 112573869
1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide
CID 115379001
N-[3-(dimethylamino)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169371894
N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide
CID 115378312
N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide
CID 115378355
N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 107447139
N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide
CID 115378310
N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106065488
3-[[3-(dimethylamino)-4-methylphenyl]sulfamoyl-methylamino]propanoic acid
CID 115376567
2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide
CID 115379035
methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate
CID 113297784

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106073981) is N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide is Cc1ccc(NS(=O)(=O)C(C)CNC(C)C)cc1N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is NYOLSZIMPLPAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-11(2)16-10-13(4)21(19,20)17-14-8-7-12(3)15(9-14)18(5)6/h7-9,11,13,16-17H,10H2,1-6H3.
What are the key properties of N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide?
N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106073981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).