N,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

C15H24N2O2S — CID 107328951

IUPACN,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCNc1cc(C)c(S(=O)(=O)N(C)CC2CC2C)c(C)c1
InChIInChI=1S/C15H24N2O2S/c1-10-6-13(10)9-17(5)20(18,19)15-11(2)7-14(16-4)8-12(15)3/h7-8,10,13,16H,6,9H2,1-5H3
InChIKeyVPNSLHNESCVJRE-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.62
Rot. Bonds5

About N,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

N,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 107328951) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID107328951
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCNc1cc(C)c(S(=O)(=O)N(C)CC2CC2C)c(C)c1
InChIInChI=1S/C15H24N2O2S/c1-10-6-13(10)9-17(5)20(18,19)15-11(2)7-14(16-4)8-12(15)3/h7-8,10,13,16H,6,9H2,1-5H3
InChIKeyVPNSLHNESCVJRE-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-Methylphenyl)methylamino]benzenesulfonamide
CID 2755708
N-[(3-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 9509783
4-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 24945994
N-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide
CID 24946179
N-(cyclopropylmethyl)-4-[cyclopropylmethyl(propyl)amino]-2-(trifluoromethyl)benzenesulfonamide
CID 24946180
4-(cyclohexylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 24946358
N-(cyclopropylmethyl)-4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide
CID 24946359
4-(cyclooctylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 24946362
4-(cycloheptylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 24946536
N-Cyclopropylmethyl-4-phenylamino-2-trifluoromethyl-benzenesulfonamide
CID 24948368
4-(butylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 24946184
4-[(4-tert-butylcyclohexyl)amino]-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 24946361

Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of N,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (CID 107328951) is N,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for N,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for N,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is CNc1cc(C)c(S(=O)(=O)N(C)CC2CC2C)c(C)c1.
What is the InChIKey of N,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is VPNSLHNESCVJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-6-13(10)9-17(5)20(18,19)15-11(2)7-14(16-4)8-12(15)3/h7-8,10,13,16H,6,9H2,1-5H3.
What are the key properties of N,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
N,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 107328951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).