5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one

C8H12N4OS — CID 130986202

IUPAC5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one
SMILESO=C1CCC(NCc2cnsn2)CN1
InChIInChI=1S/C8H12N4OS/c13-8-2-1-6(3-10-8)9-4-7-5-11-14-12-7/h5-6,9H,1-4H2,(H,10,13)
InChIKeyBMUHLFAZWIENPE-UHFFFAOYSA-N
MW212.28 g/mol
LogP-0.09
Rot. Bonds3

About 5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one

5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one (PubChem CID 130986202) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one.

Molecular Properties

Compound Name5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one
PubChem CID130986202
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one
SMILESO=C1CCC(NCc2cnsn2)CN1
InChIInChI=1S/C8H12N4OS/c13-8-2-1-6(3-10-8)9-4-7-5-11-14-12-7/h5-6,9H,1-4H2,(H,10,13)
InChIKeyBMUHLFAZWIENPE-UHFFFAOYSA-N
XLogP-0.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(thiadiazol-4-ylmethylamino)piperidin-2-one
CID 63662075
5-(pyridin-4-ylmethylamino)piperidin-2-one
CID 63378640
5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one
CID 112582371
5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one
CID 63378448
5-[(2-methyltetrazol-5-yl)methylamino]piperidin-2-one
CID 107042410
5-[(1-cyclopentylpyrazol-3-yl)methylamino]piperidin-2-one
CID 64798975
(5S)-5-(ethylamino)piperidin-2-one
CID 89165627
5-[[1-(3,4-dichlorophenyl)triazol-4-yl]methylamino]piperidin-2-one
CID 84600770
3,3-difluoro-N-(1,2,5-thiadiazol-3-ylmethyl)cyclopentan-1-amine
CID 130857599
5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103250865
5-(furan-2-ylmethylamino)piperidin-2-one
CID 63378593
5-(2-hydroxyethylamino)piperidin-2-one
CID 63661221

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one?
The IUPAC name of 5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one (CID 130986202) is 5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one.
What is the SMILES notation for 5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one?
The canonical SMILES for 5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one is O=C1CCC(NCc2cnsn2)CN1.
What is the InChIKey of 5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one?
The InChIKey is BMUHLFAZWIENPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c13-8-2-1-6(3-10-8)9-4-7-5-11-14-12-7/h5-6,9H,1-4H2,(H,10,13).
What are the key properties of 5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one?
5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one has a molecular weight of 212.28 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one is sourced from PubChem (CID 130986202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).