2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide

C12H17NO2S — CID 103723870

IUPAC2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC1(C)CC1
InChIInChI=1S/C12H17NO2S/c1-10-5-3-4-6-11(10)16(14,15)13-9-12(2)7-8-12/h3-6,13H,7-9H2,1-2H3
InChIKeyOJHRYMKNCMUGSI-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.07
Rot. Bonds4

About 2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide

2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 103723870) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID103723870
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC1(C)CC1
InChIInChI=1S/C12H17NO2S/c1-10-5-3-4-6-11(10)16(14,15)13-9-12(2)7-8-12/h3-6,13H,7-9H2,1-2H3
InChIKeyOJHRYMKNCMUGSI-UHFFFAOYSA-N
XLogP2.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 103743769
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 110642394
1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311040
2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120720518
2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 104859283
methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate
CID 103836700
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79556754
2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
CID 110875704
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide
CID 107389989

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide (CID 103723870) is 2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCC1(C)CC1.
What is the InChIKey of 2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is OJHRYMKNCMUGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10-5-3-4-6-11(10)16(14,15)13-9-12(2)7-8-12/h3-6,13H,7-9H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide?
2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 103723870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).