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

C13H22N4OS2 — CID 166761126

IUPAC2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide
SMILESCC(=NS(=O)C(C)(C)C)c1nc(N2CCCCC2)ns1
InChIInChI=1S/C13H22N4OS2/c1-10(16-20(18)13(2,3)4)11-14-12(15-19-11)17-8-6-5-7-9-17/h5-9H2,1-4H3
InChIKeyRUVWNMLXEMQMLE-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.80
Rot. Bonds3

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

2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide (PubChem CID 166761126) has the molecular formula C13H22N4OS2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide
PubChem CID166761126
Molecular FormulaC13H22N4OS2
Molecular Weight314.48 g/mol
Exact Mass314.12
IUPAC Name2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide
SMILESCC(=NS(=O)C(C)(C)C)c1nc(N2CCCCC2)ns1
InChIInChI=1S/C13H22N4OS2/c1-10(16-20(18)13(2,3)4)11-14-12(15-19-11)17-8-6-5-7-9-17/h5-9H2,1-4H3
InChIKeyRUVWNMLXEMQMLE-UHFFFAOYSA-N
XLogP2.80
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanesulfonamide
CID 71976614
(S)-2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide
CID 166760933
2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide
CID 166761035
(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
(R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide
CID 166761109
(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
(2S)-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide
CID 169046443
(2R)-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide
CID 169046445
N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide
CID 169774440
5-Ethyl-3-piperidin-1-yl-1,2,4-thiadiazole
CID 170209272

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide (CID 166761126) is 2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide is CC(=NS(=O)C(C)(C)C)c1nc(N2CCCCC2)ns1.
What is the InChIKey of 2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide?
The InChIKey is RUVWNMLXEMQMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS2/c1-10(16-20(18)13(2,3)4)11-14-12(15-19-11)17-8-6-5-7-9-17/h5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide?
2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide has a molecular weight of 314.48 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide is sourced from PubChem (CID 166761126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).