2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide

C15H22N2O3S — CID 80715326

IUPAC2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC1CC2CCC1O2
InChIInChI=1S/C15H22N2O3S/c1-2-9-16-21(18,19)15-6-4-3-5-12(15)17-13-10-11-7-8-14(13)20-11/h3-6,11,13-14,16-17H,2,7-10H2,1H3
InChIKeyRRHIBSVFWYAJJS-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.11
Rot. Bonds6

About 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide

2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide (PubChem CID 80715326) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide
PubChem CID80715326
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC1CC2CCC1O2
InChIInChI=1S/C15H22N2O3S/c1-2-9-16-21(18,19)15-6-4-3-5-12(15)17-13-10-11-7-8-14(13)20-11/h3-6,11,13-14,16-17H,2,7-10H2,1H3
InChIKeyRRHIBSVFWYAJJS-UHFFFAOYSA-N
XLogP2.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
CID 62359065
2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide
CID 80713071
2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide
CID 43454559
2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide
CID 43454539
2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 106072868
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 80720276
2-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80602182
N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide
CID 62146052
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide
CID 106403815
N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
CID 114695395
2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide
CID 65110251
2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid
CID 64815678

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide?
The IUPAC name of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide (CID 80715326) is 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1NC1CC2CCC1O2.
What is the InChIKey of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide?
The InChIKey is RRHIBSVFWYAJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-9-16-21(18,19)15-6-4-3-5-12(15)17-13-10-11-7-8-14(13)20-11/h3-6,11,13-14,16-17H,2,7-10H2,1H3.
What are the key properties of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide?
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide is sourced from PubChem (CID 80715326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).