3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide

C15H24N2O3S — CID 63706048

IUPAC3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)N(C)CC2CCCOC2)c1
InChIInChI=1S/C15H24N2O3S/c1-12(16)14-6-3-7-15(9-14)21(18,19)17(2)10-13-5-4-8-20-11-13/h3,6-7,9,12-13H,4-5,8,10-11,16H2,1-2H3
InChIKeyJTIPEIMXTFWYKL-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.75
Rot. Bonds5

About 3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide

3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide (PubChem CID 63706048) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
PubChem CID63706048
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)N(C)CC2CCCOC2)c1
InChIInChI=1S/C15H24N2O3S/c1-12(16)14-6-3-7-15(9-14)21(18,19)17(2)10-13-5-4-8-20-11-13/h3,6-7,9,12-13H,4-5,8,10-11,16H2,1-2H3
InChIKeyJTIPEIMXTFWYKL-UHFFFAOYSA-N
XLogP1.75
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63708026
3-(1-aminoethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82739570
N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide
CID 154739901
3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399516
3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 55190032
3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43267394
N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 62862419
3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63725570
N-methyl-N-(oxolan-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 91905749
3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43265234
N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 63708062
3-(azepane-1-carbonyl)-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 72858134

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide (CID 63706048) is 3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide is CC(N)c1cccc(S(=O)(=O)N(C)CC2CCCOC2)c1.
What is the InChIKey of 3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The InChIKey is JTIPEIMXTFWYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(16)14-6-3-7-15(9-14)21(18,19)17(2)10-13-5-4-8-20-11-13/h3,6-7,9,12-13H,4-5,8,10-11,16H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 63706048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).