N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide

C13H23N3O2S2 — CID 91838272

IUPACN,N-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCCCC1c1nccs1
InChIInChI=1S/C13H23N3O2S2/c1-15(2)20(17,18)11-5-9-16-8-4-3-6-12(16)13-14-7-10-19-13/h7,10,12H,3-6,8-9,11H2,1-2H3
InChIKeyOYKVFPJQQBVFGH-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.95
Rot. Bonds6

About N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide

N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide (PubChem CID 91838272) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide
PubChem CID91838272
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN,N-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCCCC1c1nccs1
InChIInChI=1S/C13H23N3O2S2/c1-15(2)20(17,18)11-5-9-16-8-4-3-6-12(16)13-14-7-10-19-13/h7,10,12H,3-6,8-9,11H2,1-2H3
InChIKeyOYKVFPJQQBVFGH-UHFFFAOYSA-N
XLogP1.95
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide (CID 91838272) is N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide is CN(C)S(=O)(=O)CCCN1CCCCC1c1nccs1.
What is the InChIKey of N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide?
The InChIKey is OYKVFPJQQBVFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-15(2)20(17,18)11-5-9-16-8-4-3-6-12(16)13-14-7-10-19-13/h7,10,12H,3-6,8-9,11H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide?
N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 91838272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).