2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide

C13H20N2O3S — CID 80713071

IUPAC2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC1CCOC1
InChIInChI=1S/C13H20N2O3S/c1-2-8-14-19(16,17)13-6-4-3-5-12(13)15-11-7-9-18-10-11/h3-6,11,14-15H,2,7-10H2,1H3
InChIKeyVVGSJYOCZYIOPG-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.58
Rot. Bonds6

About 2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide

2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide (PubChem CID 80713071) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide
PubChem CID80713071
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC1CCOC1
InChIInChI=1S/C13H20N2O3S/c1-2-8-14-19(16,17)13-6-4-3-5-12(13)15-11-7-9-18-10-11/h3-6,11,14-15H,2,7-10H2,1H3
InChIKeyVVGSJYOCZYIOPG-UHFFFAOYSA-N
XLogP1.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide
CID 43454539
2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide
CID 43454559
2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
CID 62359065
N-(2-ethylsulfonylphenyl)oxan-4-amine
CID 43610395
2-(ethylamino)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 55119396
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide
CID 80715326
N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide
CID 62146052
N-cyclohexyl-2-(propylamino)benzenesulfonamide
CID 62149807
N-(2-ethylsulfanylphenyl)oxolan-3-amine
CID 63335369
2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide
CID 62313487
N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
CID 43454387
N-[2-(diethylaminomethyl)phenyl]oxolan-3-amine
CID 63335462

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide?
The IUPAC name of 2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide (CID 80713071) is 2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1NC1CCOC1.
What is the InChIKey of 2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide?
The InChIKey is VVGSJYOCZYIOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-8-14-19(16,17)13-6-4-3-5-12(13)15-11-7-9-18-10-11/h3-6,11,14-15H,2,7-10H2,1H3.
What are the key properties of 2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide?
2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide is sourced from PubChem (CID 80713071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).