3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide

C16H25NO3S — CID 91915434

IUPAC3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C16H25NO3S/c1-4-8-17(11-15-7-9-20-12-15)21(18,19)16-6-5-13(2)14(3)10-16/h5-6,10,15H,4,7-9,11-12H2,1-3H3
InChIKeyNGMXOPPUFGOHGR-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.74
Rot. Bonds6

About 3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide

3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (PubChem CID 91915434) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
PubChem CID91915434
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C16H25NO3S/c1-4-8-17(11-15-7-9-20-12-15)21(18,19)16-6-5-13(2)14(3)10-16/h5-6,10,15H,4,7-9,11-12H2,1-3H3
InChIKeyNGMXOPPUFGOHGR-UHFFFAOYSA-N
XLogP2.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905715
4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905703
5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905709
5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91915442
ethyl 3-[cyclopropylmethyl-(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 52763653
3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 71977813
N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
CID 23996210
N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide
CID 55150398
3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 86986018
3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61138357
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide
CID 95775848
3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61253542

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (CID 91915434) is 3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is CCCN(CC1CCOC1)S(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The InChIKey is NGMXOPPUFGOHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-4-8-17(11-15-7-9-20-12-15)21(18,19)16-6-5-13(2)14(3)10-16/h5-6,10,15H,4,7-9,11-12H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 91915434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).