4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide

C15H22N2O2S — CID 60823571

IUPAC4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CNC2CC2)cc1)C1CC1
InChIInChI=1S/C15H22N2O2S/c1-11(13-4-5-13)17-20(18,19)15-8-2-12(3-9-15)10-16-14-6-7-14/h2-3,8-9,11,13-14,16-17H,4-7,10H2,1H3
InChIKeyDODDETYSECQKLR-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.02
Rot. Bonds7

About 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide

4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide (PubChem CID 60823571) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide
PubChem CID60823571
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CNC2CC2)cc1)C1CC1
InChIInChI=1S/C15H22N2O2S/c1-11(13-4-5-13)17-20(18,19)15-8-2-12(3-9-15)10-16-14-6-7-14/h2-3,8-9,11,13-14,16-17H,4-7,10H2,1H3
InChIKeyDODDETYSECQKLR-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60823570
4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61464027
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866
N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106066113
4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide
CID 106084795
N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine
CID 71015787
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
4-acetyl-N-[(1S)-1-cyclopropylethyl]benzenesulfonamide
CID 8816988
4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816993
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide
CID 106029974

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide (CID 60823571) is 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(CNC2CC2)cc1)C1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide?
The InChIKey is DODDETYSECQKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11(13-4-5-13)17-20(18,19)15-8-2-12(3-9-15)10-16-14-6-7-14/h2-3,8-9,11,13-14,16-17H,4-7,10H2,1H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide?
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide is sourced from PubChem (CID 60823571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).