4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide

C10H17N3O2S2 — CID 66872184

IUPAC4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1ncsc1S(=O)(=O)NC1CCN(C)CC1
InChIInChI=1S/C10H17N3O2S2/c1-8-10(16-7-11-8)17(14,15)12-9-3-5-13(2)6-4-9/h7,9,12H,3-6H2,1-2H3
InChIKeyUIKHKKUUPTXXAJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.82
Rot. Bonds3

About 4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide

4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 66872184) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide
PubChem CID66872184
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1ncsc1S(=O)(=O)NC1CCN(C)CC1
InChIInChI=1S/C10H17N3O2S2/c1-8-10(16-7-11-8)17(14,15)12-9-3-5-13(2)6-4-9/h7,9,12H,3-6H2,1-2H3
InChIKeyUIKHKKUUPTXXAJ-UHFFFAOYSA-N
XLogP0.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide (CID 66872184) is 4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide is Cc1ncsc1S(=O)(=O)NC1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is UIKHKKUUPTXXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-8-10(16-7-11-8)17(14,15)12-9-3-5-13(2)6-4-9/h7,9,12H,3-6H2,1-2H3.
What are the key properties of 4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 275.40 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 66872184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).