N-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide

C11H20N4O2S — CID 66215276

IUPACN-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide
SMILESCCCN(C1CNC1)S(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C11H20N4O2S/c1-4-5-15(10-6-12-7-10)18(16,17)11-8-14(3)9(2)13-11/h8,10,12H,4-7H2,1-3H3
InChIKeyCNFVLAGYSFMBKJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.10
Rot. Bonds5

About N-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide

N-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide (PubChem CID 66215276) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide
PubChem CID66215276
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide
SMILESCCCN(C1CNC1)S(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C11H20N4O2S/c1-4-5-15(10-6-12-7-10)18(16,17)11-8-14(3)9(2)13-11/h8,10,12H,4-7H2,1-3H3
InChIKeyCNFVLAGYSFMBKJ-UHFFFAOYSA-N
XLogP0.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide?
The IUPAC name of N-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide (CID 66215276) is N-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide is CCCN(C1CNC1)S(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of N-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide?
The InChIKey is CNFVLAGYSFMBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-4-5-15(10-6-12-7-10)18(16,17)11-8-14(3)9(2)13-11/h8,10,12H,4-7H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide?
N-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide is sourced from PubChem (CID 66215276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).