4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-one

C8H13N3OS — CID 4770992

IUPAC4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-one
SMILESCC1CCN(c2ns[nH]c2=O)CC1
InChIInChI=1S/C8H13N3OS/c1-6-2-4-11(5-3-6)7-8(12)10-13-9-7/h6H,2-5H2,1H3,(H,10,12)
InChIKeyIHFDLSPKEFNEFG-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.07
Rot. Bonds1

About 4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-one

4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-one (PubChem CID 4770992) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-one.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-one
PubChem CID4770992
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-one
SMILESCC1CCN(c2ns[nH]c2=O)CC1
InChIInChI=1S/C8H13N3OS/c1-6-2-4-11(5-3-6)7-8(12)10-13-9-7/h6H,2-5H2,1H3,(H,10,12)
InChIKeyIHFDLSPKEFNEFG-UHFFFAOYSA-N
XLogP1.07
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-one?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-one (CID 4770992) is 4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-one.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-one?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-one is CC1CCN(c2ns[nH]c2=O)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-one?
The InChIKey is IHFDLSPKEFNEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6-2-4-11(5-3-6)7-8(12)10-13-9-7/h6H,2-5H2,1H3,(H,10,12).
What are the key properties of 4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-one?
4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-one has a molecular weight of 199.28 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-one is sourced from PubChem (CID 4770992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).