N,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide

C15H24N2O3S — CID 119153369

IUPACN,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNCC2CCOCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-17(2)21(18,19)15-5-3-13(4-6-15)11-16-12-14-7-9-20-10-8-14/h3-6,14,16H,7-12H2,1-2H3
InChIKeyTXQHXIAZFSYUHJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.45
Rot. Bonds6

About N,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide

N,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide (PubChem CID 119153369) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide
PubChem CID119153369
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNCC2CCOCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-17(2)21(18,19)15-5-3-13(4-6-15)11-16-12-14-7-9-20-10-8-14/h3-6,14,16H,7-12H2,1-2H3
InChIKeyTXQHXIAZFSYUHJ-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide (CID 119153369) is N,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(CNCC2CCOCC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide?
The InChIKey is TXQHXIAZFSYUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-17(2)21(18,19)15-5-3-13(4-6-15)11-16-12-14-7-9-20-10-8-14/h3-6,14,16H,7-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide?
N,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 119153369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).