N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide

C15H24N2O3S — CID 105421404

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)c2ccccc2CO)CCC1
InChIInChI=1S/C15H24N2O3S/c1-16(2)15(9-6-10-15)12-17(3)21(19,20)14-8-5-4-7-13(14)11-18/h4-5,7-8,18H,6,9-12H2,1-3H3
InChIKeyBNAAELKIUDYKMT-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.28
Rot. Bonds6

About N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide (PubChem CID 105421404) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide
PubChem CID105421404
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)c2ccccc2CO)CCC1
InChIInChI=1S/C15H24N2O3S/c1-16(2)15(9-6-10-15)12-17(3)21(19,20)14-8-5-4-7-13(14)11-18/h4-5,7-8,18H,6,9-12H2,1-3H3
InChIKeyBNAAELKIUDYKMT-UHFFFAOYSA-N
XLogP1.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide (CID 105421404) is N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide is CN(C)C1(CN(C)S(=O)(=O)c2ccccc2CO)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
The InChIKey is BNAAELKIUDYKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-16(2)15(9-6-10-15)12-17(3)21(19,20)14-8-5-4-7-13(14)11-18/h4-5,7-8,18H,6,9-12H2,1-3H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 105421404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).