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

C11H20N4O2S2 — CID 71976614

IUPACN-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C11H20N4O2S2/c1-4-19(16,17)14(3)10-5-7-15(8-6-10)11-12-9(2)13-18-11/h10H,4-8H2,1-3H3
InChIKeyVUEMSXOTWSPLOC-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.10
Rot. Bonds4

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

N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanesulfonamide (PubChem CID 71976614) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanesulfonamide
PubChem CID71976614
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC NameN-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C11H20N4O2S2/c1-4-19(16,17)14(3)10-5-7-15(8-6-10)11-12-9(2)13-18-11/h10H,4-8H2,1-3H3
InChIKeyVUEMSXOTWSPLOC-UHFFFAOYSA-N
XLogP1.10
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 71979076
3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
CID 86801697
N-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 133519359
N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 137922033
1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine
CID 59598889
[5-(3,5-Dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]methanesulfinic acid
CID 71100361
N,N-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 71132619
N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]thiohydroxylamine
CID 143498368
(NE,S)-2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide
CID 166761040
(S)-2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide
CID 166761043
(NE,R)-2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide
CID 166761117
(R)-2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide
CID 166761119

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanesulfonamide (CID 71976614) is N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)N(C)C1CCN(c2nc(C)ns2)CC1.
What is the InChIKey of N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is VUEMSXOTWSPLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-4-19(16,17)14(3)10-5-7-15(8-6-10)11-12-9(2)13-18-11/h10H,4-8H2,1-3H3.
What are the key properties of N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanesulfonamide?
N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 71976614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).