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

C15H22N2O3S — CID 82748496

IUPAC3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1cccc(CNC2CC2)c1
InChIInChI=1S/C15H22N2O3S/c1-17(14-7-8-20-11-14)21(18,19)15-4-2-3-12(9-15)10-16-13-5-6-13/h2-4,9,13-14,16H,5-8,10-11H2,1H3
InChIKeyLPECKWIQCIZSEY-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.35
Rot. Bonds6

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

3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 82748496) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID82748496
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1cccc(CNC2CC2)c1
InChIInChI=1S/C15H22N2O3S/c1-17(14-7-8-20-11-14)21(18,19)15-4-2-3-12(9-15)10-16-13-5-6-13/h2-4,9,13-14,16H,5-8,10-11H2,1H3
InChIKeyLPECKWIQCIZSEY-UHFFFAOYSA-N
XLogP1.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(oxolan-3-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82748703
3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072474
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 82745858
N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 82737506
3-(1-aminoethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82739570
3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82739201
N-methyl-N-(oxolan-3-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82729653
4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745836
4-bromo-N,3-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947881
2-amino-N-methyl-N-(oxolan-3-yl)pyridine-4-sulfonamide
CID 82743975
4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741535
2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 82748707

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide (CID 82748496) is 3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide is CN(C1CCOC1)S(=O)(=O)c1cccc(CNC2CC2)c1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is LPECKWIQCIZSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-17(14-7-8-20-11-14)21(18,19)15-4-2-3-12(9-15)10-16-13-5-6-13/h2-4,9,13-14,16H,5-8,10-11H2,1H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82748496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).