N-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide

C12H25N3O2S — CID 66214864

IUPACN-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide
SMILESCCCN(C1CNC1)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H25N3O2S/c1-3-6-15(12-8-13-9-12)18(16,17)14-7-4-5-11(2)10-14/h11-13H,3-10H2,1-2H3
InChIKeyPBJQRQAGYNTCIU-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.65
Rot. Bonds5

About N-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide

N-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide (PubChem CID 66214864) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide
PubChem CID66214864
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide
SMILESCCCN(C1CNC1)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H25N3O2S/c1-3-6-15(12-8-13-9-12)18(16,17)14-7-4-5-11(2)10-14/h11-13H,3-10H2,1-2H3
InChIKeyPBJQRQAGYNTCIU-UHFFFAOYSA-N
XLogP0.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide?
The IUPAC name of N-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide (CID 66214864) is N-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide is CCCN(C1CNC1)S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide?
The InChIKey is PBJQRQAGYNTCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-3-6-15(12-8-13-9-12)18(16,17)14-7-4-5-11(2)10-14/h11-13H,3-10H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide?
N-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide is sourced from PubChem (CID 66214864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).