2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide

C13H21N3O2S — CID 66215341

IUPAC2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide
SMILESCCCN(c1ccccc1S(=O)(=O)NC)C1CNC1
InChIInChI=1S/C13H21N3O2S/c1-3-8-16(11-9-15-10-11)12-6-4-5-7-13(12)19(17,18)14-2/h4-7,11,14-15H,3,8-10H2,1-2H3
InChIKeyGGYAJBHWTZKVTO-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.78
Rot. Bonds6

About 2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide

2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide (PubChem CID 66215341) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide
PubChem CID66215341
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide
SMILESCCCN(c1ccccc1S(=O)(=O)NC)C1CNC1
InChIInChI=1S/C13H21N3O2S/c1-3-8-16(11-9-15-10-11)12-6-4-5-7-13(12)19(17,18)14-2/h4-7,11,14-15H,3,8-10H2,1-2H3
InChIKeyGGYAJBHWTZKVTO-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide
CID 63636485
N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine
CID 63304180
N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide
CID 63301799
N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine
CID 63304136
2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide
CID 102874822
2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide
CID 106643534
N-(3-fluoro-2-nitrophenyl)-N-propylazetidin-3-amine
CID 66215143
2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide
CID 79523206
N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine
CID 63759021
4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide
CID 66183974
N-(azetidin-3-yl)-N-propylcinnolin-4-amine
CID 66216744
3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide
CID 43449230

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide (CID 66215341) is 2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide is CCCN(c1ccccc1S(=O)(=O)NC)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is GGYAJBHWTZKVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-8-16(11-9-15-10-11)12-6-4-5-7-13(12)19(17,18)14-2/h4-7,11,14-15H,3,8-10H2,1-2H3.
What are the key properties of 2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide?
2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 66215341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).