3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide

C14H20N2O3S — CID 106072474

IUPAC3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOC1)c1cccc(CNC2CC2)c1
InChIInChI=1S/C14H20N2O3S/c17-20(18,16-13-6-7-19-10-13)14-3-1-2-11(8-14)9-15-12-4-5-12/h1-3,8,12-13,15-16H,4-7,9-10H2
InChIKeyDIQWHQFAUJHYNA-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.01
Rot. Bonds6

About 3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide

3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 106072474) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID106072474
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOC1)c1cccc(CNC2CC2)c1
InChIInChI=1S/C14H20N2O3S/c17-20(18,16-13-6-7-19-10-13)14-3-1-2-11(8-14)9-15-12-4-5-12/h1-3,8,12-13,15-16H,4-7,9-10H2
InChIKeyDIQWHQFAUJHYNA-UHFFFAOYSA-N
XLogP1.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82748496
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072287
N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831
3-N-(oxan-3-yl)benzene-1,3-disulfonamide
CID 63361521
3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093864
5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
CID 106072562
3-[(oxolan-3-ylamino)methyl]benzamide
CID 63332008
3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 99819133

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide (CID 106072474) is 3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide is O=S(=O)(NC1CCOC1)c1cccc(CNC2CC2)c1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is DIQWHQFAUJHYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c17-20(18,16-13-6-7-19-10-13)14-3-1-2-11(8-14)9-15-12-4-5-12/h1-3,8,12-13,15-16H,4-7,9-10H2.
What are the key properties of 3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide?
3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106072474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).