N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpiperidine-1-sulfonamide

C13H23N3O2S2 — CID 71864543

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpiperidine-1-sulfonamide
SMILESCCCN(Cc1cnc(C)s1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C13H23N3O2S2/c1-3-7-16(11-13-10-14-12(2)19-13)20(17,18)15-8-5-4-6-9-15/h10H,3-9,11H2,1-2H3
InChIKeyAGCCAMCQOQCGGR-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.39
Rot. Bonds6

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpiperidine-1-sulfonamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpiperidine-1-sulfonamide (PubChem CID 71864543) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpiperidine-1-sulfonamide
PubChem CID71864543
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpiperidine-1-sulfonamide
SMILESCCCN(Cc1cnc(C)s1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C13H23N3O2S2/c1-3-7-16(11-13-10-14-12(2)19-13)20(17,18)15-8-5-4-6-9-15/h10H,3-9,11H2,1-2H3
InChIKeyAGCCAMCQOQCGGR-UHFFFAOYSA-N
XLogP2.39
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpiperidine-1-sulfonamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpiperidine-1-sulfonamide (CID 71864543) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpiperidine-1-sulfonamide is CCCN(Cc1cnc(C)s1)S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpiperidine-1-sulfonamide?
The InChIKey is AGCCAMCQOQCGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-3-7-16(11-13-10-14-12(2)19-13)20(17,18)15-8-5-4-6-9-15/h10H,3-9,11H2,1-2H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpiperidine-1-sulfonamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpiperidine-1-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpiperidine-1-sulfonamide is sourced from PubChem (CID 71864543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).