N-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide

C13H23N3O2S2 — CID 167821274

IUPACN-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(Cc2nc(C)sc2C)CC1
InChIInChI=1S/C13H23N3O2S2/c1-4-20(17,18)15-12-5-7-16(8-6-12)9-13-10(2)19-11(3)14-13/h12,15H,4-9H2,1-3H3
InChIKeyXTSGENGUUFXVSU-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.66
Rot. Bonds5

About N-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide

N-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide (PubChem CID 167821274) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide
PubChem CID167821274
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(Cc2nc(C)sc2C)CC1
InChIInChI=1S/C13H23N3O2S2/c1-4-20(17,18)15-12-5-7-16(8-6-12)9-13-10(2)19-11(3)14-13/h12,15H,4-9H2,1-3H3
InChIKeyXTSGENGUUFXVSU-UHFFFAOYSA-N
XLogP1.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide (CID 167821274) is N-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(Cc2nc(C)sc2C)CC1.
What is the InChIKey of N-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide?
The InChIKey is XTSGENGUUFXVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-4-20(17,18)15-12-5-7-16(8-6-12)9-13-10(2)19-11(3)14-13/h12,15H,4-9H2,1-3H3.
What are the key properties of N-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide?
N-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide has a molecular weight of 317.48 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 167821274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).