4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide

C15H22N2O3S — CID 106072287

IUPAC4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOC1)c1ccc(CCNC2CC2)cc1
InChIInChI=1S/C15H22N2O3S/c18-21(19,17-14-8-10-20-11-14)15-5-1-12(2-6-15)7-9-16-13-3-4-13/h1-2,5-6,13-14,16-17H,3-4,7-11H2
InChIKeyGLBNFWZVPDAQHX-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.05
Rot. Bonds7

About 4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide

4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 106072287) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID106072287
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOC1)c1ccc(CCNC2CC2)cc1
InChIInChI=1S/C15H22N2O3S/c18-21(19,17-14-8-10-20-11-14)15-5-1-12(2-6-15)7-9-16-13-3-4-13/h1-2,5-6,13-14,16-17H,3-4,7-11H2
InChIKeyGLBNFWZVPDAQHX-UHFFFAOYSA-N
XLogP1.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831
N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine
CID 63335701
3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072474
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031297
4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 106032282
4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide
CID 70734205
N-cyclohexyl-4-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 97154955
4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 63361233
2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid
CID 80717459
4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
CID 79742039

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide (CID 106072287) is 4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide is O=S(=O)(NC1CCOC1)c1ccc(CCNC2CC2)cc1.
What is the InChIKey of 4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is GLBNFWZVPDAQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-21(19,17-14-8-10-20-11-14)15-5-1-12(2-6-15)7-9-16-13-3-4-13/h1-2,5-6,13-14,16-17H,3-4,7-11H2.
What are the key properties of 4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide?
4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106072287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).