2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide

C14H22N2O3S — CID 61039943

IUPAC2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NCC1CCOC1
InChIInChI=1S/C14H22N2O3S/c1-11(2)16-20(17,18)14-6-4-3-5-13(14)15-9-12-7-8-19-10-12/h3-6,11-12,15-16H,7-10H2,1-2H3
InChIKeyCRIHKLPFULWHOJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.82
Rot. Bonds6

About 2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide

2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide (PubChem CID 61039943) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide
PubChem CID61039943
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NCC1CCOC1
InChIInChI=1S/C14H22N2O3S/c1-11(2)16-20(17,18)14-6-4-3-5-13(14)15-9-12-7-8-19-10-12/h3-6,11-12,15-16H,7-10H2,1-2H3
InChIKeyCRIHKLPFULWHOJ-UHFFFAOYSA-N
XLogP1.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-N-(oxolan-3-ylmethyl)aniline
CID 43724682
2-(ethylamino)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 55119396
2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide
CID 54867006
N-(oxan-3-ylmethyl)-2-propylsulfonylaniline
CID 61020152
2-ethylsulfonyl-N-(oxan-4-ylmethyl)aniline
CID 62385978
2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
CID 55242224
N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62663937
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
1-[2-(oxan-3-ylmethylamino)phenyl]ethanol
CID 63739863
2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide
CID 61482608
2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383470
N-cyclopropyl-2-[2-(propan-2-ylsulfamoyl)anilino]acetamide
CID 43568444

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide (CID 61039943) is 2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1NCC1CCOC1.
What is the InChIKey of 2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is CRIHKLPFULWHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(2)16-20(17,18)14-6-4-3-5-13(14)15-9-12-7-8-19-10-12/h3-6,11-12,15-16H,7-10H2,1-2H3.
What are the key properties of 2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide?
2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 61039943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).