2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide

C15H24N2O2S — CID 106030014

IUPAC2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1ccccc1CNC1CC1
InChIInChI=1S/C15H24N2O2S/c1-11(2)12(3)17-20(18,19)15-7-5-4-6-13(15)10-16-14-8-9-14/h4-7,11-12,14,16-17H,8-10H2,1-3H3
InChIKeyNAXCRSWJSJAWMY-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.26
Rot. Bonds7

About 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide

2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 106030014) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID106030014
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1ccccc1CNC1CC1
InChIInChI=1S/C15H24N2O2S/c1-11(2)12(3)17-20(18,19)15-7-5-4-6-13(15)10-16-14-8-9-14/h4-7,11-12,14,16-17H,8-10H2,1-3H3
InChIKeyNAXCRSWJSJAWMY-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(cyclopropylamino)methyl]-2-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079650
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106030004
N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide
CID 106024752
4-chloro-3-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030109
3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030111
2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 106063690
N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106084917
N-(1-cyclopentylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106066120
2-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106082837
2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424008
2-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 106055884
1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide
CID 106029974

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 106030014) is 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide is CC(C)C(C)NS(=O)(=O)c1ccccc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is NAXCRSWJSJAWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)12(3)17-20(18,19)15-7-5-4-6-13(15)10-16-14-8-9-14/h4-7,11-12,14,16-17H,8-10H2,1-3H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide?
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106030014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).