N-methyl-3-(2-methylpropylamino)benzenesulfonamide

C11H18N2O2S — CID 43688509

IUPACN-methyl-3-(2-methylpropylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCC(C)C)c1
InChIInChI=1S/C11H18N2O2S/c1-9(2)8-13-10-5-4-6-11(7-10)16(14,15)12-3/h4-7,9,12-13H,8H2,1-3H3
InChIKeyYFTINAXEROTZAM-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.66
Rot. Bonds5

About N-methyl-3-(2-methylpropylamino)benzenesulfonamide

N-methyl-3-(2-methylpropylamino)benzenesulfonamide (PubChem CID 43688509) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-methyl-3-(2-methylpropylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(2-methylpropylamino)benzenesulfonamide
PubChem CID43688509
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-methyl-3-(2-methylpropylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCC(C)C)c1
InChIInChI=1S/C11H18N2O2S/c1-9(2)8-13-10-5-4-6-11(7-10)16(14,15)12-3/h4-7,9,12-13H,8H2,1-3H3
InChIKeyYFTINAXEROTZAM-UHFFFAOYSA-N
XLogP1.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441517
N-methyl-4-(2-methylpropylamino)benzenesulfonamide
CID 43453809
3-(methylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 119028425
N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43688554
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688530
3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688489
N-methyl-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 43688461
3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 43688507
2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 107903680

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpropylamino)benzenesulfonamide?
The IUPAC name of N-methyl-3-(2-methylpropylamino)benzenesulfonamide (CID 43688509) is N-methyl-3-(2-methylpropylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(2-methylpropylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-3-(2-methylpropylamino)benzenesulfonamide is CNS(=O)(=O)c1cccc(NCC(C)C)c1.
What is the InChIKey of N-methyl-3-(2-methylpropylamino)benzenesulfonamide?
The InChIKey is YFTINAXEROTZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(2)8-13-10-5-4-6-11(7-10)16(14,15)12-3/h4-7,9,12-13H,8H2,1-3H3.
What are the key properties of N-methyl-3-(2-methylpropylamino)benzenesulfonamide?
N-methyl-3-(2-methylpropylamino)benzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpropylamino)benzenesulfonamide is sourced from PubChem (CID 43688509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).