4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide

C13H21N3O2S — CID 66183971

IUPAC4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(N(C)C2CNC2)cc1
InChIInChI=1S/C13H21N3O2S/c1-10(2)15-19(17,18)13-6-4-11(5-7-13)16(3)12-8-14-9-12/h4-7,10,12,14-15H,8-9H2,1-3H3
InChIKeyUSPGVSKEFQHONR-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.78
Rot. Bonds5

About 4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide

4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 66183971) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide
PubChem CID66183971
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(N(C)C2CNC2)cc1
InChIInChI=1S/C13H21N3O2S/c1-10(2)15-19(17,18)13-6-4-11(5-7-13)16(3)12-8-14-9-12/h4-7,10,12,14-15H,8-9H2,1-3H3
InChIKeyUSPGVSKEFQHONR-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide
CID 66183974
4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958107
1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539772
N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 86926868
4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454135
N-(4-chlorophenyl)-N-methylazetidin-3-amine
CID 105450394
4-[azetidin-3-yl(methyl)amino]-N-methyl-3-nitrobenzenesulfonamide
CID 66181841
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 107484267
4-(cyclohexylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454130
4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454160
4-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide
CID 64983236
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167

Frequently Asked Questions

What is the IUPAC name of 4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide (CID 66183971) is 4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(N(C)C2CNC2)cc1.
What is the InChIKey of 4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is USPGVSKEFQHONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10(2)15-19(17,18)13-6-4-11(5-7-13)16(3)12-8-14-9-12/h4-7,10,12,14-15H,8-9H2,1-3H3.
What are the key properties of 4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide?
4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 66183971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).