N-(2-sulfanylethyl)azirine-1-carboxamide

C5H8N2OS — CID 121273993

IUPACN-(2-sulfanylethyl)azirine-1-carboxamide
SMILESO=C(NCCS)N1C=C1
InChIInChI=1S/C5H8N2OS/c8-5(6-1-4-9)7-2-3-7/h2-3,9H,1,4H2,(H,6,8)
InChIKeyYSNBOSFQOWKMBF-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.41
Rot. Bonds2

About N-(2-sulfanylethyl)azirine-1-carboxamide

N-(2-sulfanylethyl)azirine-1-carboxamide (PubChem CID 121273993) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is N-(2-sulfanylethyl)azirine-1-carboxamide.

Molecular Properties

Compound NameN-(2-sulfanylethyl)azirine-1-carboxamide
PubChem CID121273993
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC NameN-(2-sulfanylethyl)azirine-1-carboxamide
SMILESO=C(NCCS)N1C=C1
InChIInChI=1S/C5H8N2OS/c8-5(6-1-4-9)7-2-3-7/h2-3,9H,1,4H2,(H,6,8)
InChIKeyYSNBOSFQOWKMBF-UHFFFAOYSA-N
XLogP0.41
TPSA32.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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(3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide
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1-N,3-N-bis(2-sulfanylethyl)-2,3-dihydroindole-1,3-dicarboxamide
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2-phosphanyloxy-N-(2-sulfanylethyl)acetamide
CID 59364582
2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide
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3,5-dibromo-N-(2-sulfanylethyl)benzamide
CID 118586538
2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide
CID 21397036
1-N,2-N,3-N-tris(2-sulfanylethyl)propane-1,2,3-tricarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylethyl)azirine-1-carboxamide?
The IUPAC name of N-(2-sulfanylethyl)azirine-1-carboxamide (CID 121273993) is N-(2-sulfanylethyl)azirine-1-carboxamide.
What is the SMILES notation for N-(2-sulfanylethyl)azirine-1-carboxamide?
The canonical SMILES for N-(2-sulfanylethyl)azirine-1-carboxamide is O=C(NCCS)N1C=C1.
What is the InChIKey of N-(2-sulfanylethyl)azirine-1-carboxamide?
The InChIKey is YSNBOSFQOWKMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c8-5(6-1-4-9)7-2-3-7/h2-3,9H,1,4H2,(H,6,8).
What are the key properties of N-(2-sulfanylethyl)azirine-1-carboxamide?
N-(2-sulfanylethyl)azirine-1-carboxamide has a molecular weight of 144.20 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylethyl)azirine-1-carboxamide is sourced from PubChem (CID 121273993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).