2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide

C12H18N2O2S — CID 103561715

IUPAC2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide
SMILESCc1c(NC2CC(C)C2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O2S/c1-8-6-10(7-8)14-11-4-3-5-12(9(11)2)17(13,15)16/h3-5,8,10,14H,6-7H2,1-2H3,(H2,13,15,16)
InChIKeyDMWAILXCQHSKMP-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.85
Rot. Bonds3

About 2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide

2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide (PubChem CID 103561715) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide
PubChem CID103561715
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide
SMILESCc1c(NC2CC(C)C2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O2S/c1-8-6-10(7-8)14-11-4-3-5-12(9(11)2)17(13,15)16/h3-5,8,10,14H,6-7H2,1-2H3,(H2,13,15,16)
InChIKeyDMWAILXCQHSKMP-UHFFFAOYSA-N
XLogP1.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide
CID 106821455
2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
CID 79949483
2-methyl-3-(thian-3-ylamino)benzenesulfonamide
CID 62870929
2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
CID 82727406
2-[(3,5-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 64753384
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide
CID 112633825
2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide
CID 81303161
3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide
CID 62631758
3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide
CID 64753179
2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide
CID 64743862
2-amino-3-(cyclohexylamino)benzenesulfonamide
CID 112674592
2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide
CID 61230839

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide?
The IUPAC name of 2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide (CID 103561715) is 2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide?
The canonical SMILES for 2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide is Cc1c(NC2CC(C)C2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide?
The InChIKey is DMWAILXCQHSKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-6-10(7-8)14-11-4-3-5-12(9(11)2)17(13,15)16/h3-5,8,10,14H,6-7H2,1-2H3,(H2,13,15,16).
What are the key properties of 2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide?
2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide is sourced from PubChem (CID 103561715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).