2-methyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide

C15H23NO3S — CID 91905708

IUPAC2-methyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccccc1C
InChIInChI=1S/C15H23NO3S/c1-3-9-16(11-14-8-10-19-12-14)20(17,18)15-7-5-4-6-13(15)2/h4-7,14H,3,8-12H2,1-2H3
InChIKeyDOGNWDSDYXIRJV-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.43
Rot. Bonds6

About 2-methyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide

2-methyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (PubChem CID 91905708) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
PubChem CID91905708
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-methyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccccc1C
InChIInChI=1S/C15H23NO3S/c1-3-9-16(11-14-8-10-19-12-14)20(17,18)15-7-5-4-6-13(15)2/h4-7,14H,3,8-12H2,1-2H3
InChIKeyDOGNWDSDYXIRJV-UHFFFAOYSA-N
XLogP2.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 2-methyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (CID 91905708) is 2-methyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-methyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is CCCN(CC1CCOC1)S(=O)(=O)c1ccccc1C.
What is the InChIKey of 2-methyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The InChIKey is DOGNWDSDYXIRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-9-16(11-14-8-10-19-12-14)20(17,18)15-7-5-4-6-13(15)2/h4-7,14H,3,8-12H2,1-2H3.
What are the key properties of 2-methyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
2-methyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 91905708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).