3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide

C13H22N2O3S — CID 65047904

IUPAC3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCOCC(NS(=O)(=O)c1cccc(CN)c1)C(C)C
InChIInChI=1S/C13H22N2O3S/c1-10(2)13(9-18-3)15-19(16,17)12-6-4-5-11(7-12)8-14/h4-7,10,13,15H,8-9,14H2,1-3H3
InChIKeyXSRININGLIPTIW-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.09
Rot. Bonds7

About 3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide

3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 65047904) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
PubChem CID65047904
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCOCC(NS(=O)(=O)c1cccc(CN)c1)C(C)C
InChIInChI=1S/C13H22N2O3S/c1-10(2)13(9-18-3)15-19(16,17)12-6-4-5-11(7-12)8-14/h4-7,10,13,15H,8-9,14H2,1-3H3
InChIKeyXSRININGLIPTIW-UHFFFAOYSA-N
XLogP1.09
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 81258377
4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-3-methylbenzenesulfonamide
CID 106919463
3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 106068777
1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide
CID 65047605
3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 16786055
3-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64631807
3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43579029
N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide
CID 81259771
4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106068700
2-(aminomethyl)-3-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65047751
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-nitrobenzenesulfonamide
CID 82847437
N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide
CID 65192522

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide (CID 65047904) is 3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide is COCC(NS(=O)(=O)c1cccc(CN)c1)C(C)C.
What is the InChIKey of 3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is XSRININGLIPTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10(2)13(9-18-3)15-19(16,17)12-6-4-5-11(7-12)8-14/h4-7,10,13,15H,8-9,14H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 65047904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).