4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide

C13H20N2O2S — CID 114108588

IUPAC4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NCC2(C)CCC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-13(8-3-9-13)10-15-18(16,17)12-6-4-11(14-2)5-7-12/h4-7,14-15H,3,8-10H2,1-2H3
InChIKeyFVZWQKHJZOFDMS-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.20
Rot. Bonds5

About 4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide

4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide (PubChem CID 114108588) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
PubChem CID114108588
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NCC2(C)CCC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-13(8-3-9-13)10-15-18(16,17)12-6-4-11(14-2)5-7-12/h4-7,14-15H,3,8-10H2,1-2H3
InChIKeyFVZWQKHJZOFDMS-UHFFFAOYSA-N
XLogP2.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 103737625
4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 65481827
4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79350323
N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 63831451
3-chloro-4-cyano-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 103737647
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720862
6-cyano-N-[(1-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 115618854
2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 104859283
N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720704
N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide (CID 114108588) is 4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide is CNc1ccc(S(=O)(=O)NCC2(C)CCC2)cc1.
What is the InChIKey of 4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide?
The InChIKey is FVZWQKHJZOFDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(8-3-9-13)10-15-18(16,17)12-6-4-11(14-2)5-7-12/h4-7,14-15H,3,8-10H2,1-2H3.
What are the key properties of 4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide?
4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 114108588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).