5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide

C10H17N3O3S — CID 107437601

IUPAC5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NC2CCS(=O)CC2)CN1
InChIInChI=1S/C10H17N3O3S/c14-9-6-11-8(5-12-9)10(15)13-7-1-3-17(16)4-2-7/h7-8,11H,1-6H2,(H,12,14)(H,13,15)
InChIKeyZFQOBXSOCQZVJT-UHFFFAOYSA-N
MW259.33 g/mol
LogP-1.90
Rot. Bonds2

About 5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide

5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide (PubChem CID 107437601) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide
PubChem CID107437601
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NC2CCS(=O)CC2)CN1
InChIInChI=1S/C10H17N3O3S/c14-9-6-11-8(5-12-9)10(15)13-7-1-3-17(16)4-2-7/h7-8,11H,1-6H2,(H,12,14)(H,13,15)
InChIKeyZFQOBXSOCQZVJT-UHFFFAOYSA-N
XLogP-1.90
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107437497
N-(2-hydroxycyclohexyl)-5-oxopiperazine-2-carboxamide
CID 107436269
N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide
CID 107437023
N-(1-methyl-2,6-dioxopiperidin-3-yl)-5-oxopiperazine-2-carboxamide
CID 107436893
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351
(2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride
CID 131160680
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338
2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide
CID 107435207
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide
CID 107437680
N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide
CID 107437561

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide?
The IUPAC name of 5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide (CID 107437601) is 5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide is O=C1CNC(C(=O)NC2CCS(=O)CC2)CN1.
What is the InChIKey of 5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide?
The InChIKey is ZFQOBXSOCQZVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c14-9-6-11-8(5-12-9)10(15)13-7-1-3-17(16)4-2-7/h7-8,11H,1-6H2,(H,12,14)(H,13,15).
What are the key properties of 5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide?
5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide has a molecular weight of 259.33 g/mol, XLogP of -1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide is sourced from PubChem (CID 107437601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).