2-sulfanylideneimidazolidine-1-carboxamide

C4H7N3OS — CID 143652999

IUPAC2-sulfanylideneimidazolidine-1-carboxamide
SMILESNC(=O)N1CCNC1=S
InChIInChI=1S/C4H7N3OS/c5-3(8)7-2-1-6-4(7)9/h1-2H2,(H2,5,8)(H,6,9)
InChIKeyMNSYQXOJZMAFPV-UHFFFAOYSA-N
MW145.19 g/mol
LogP-0.74
Rot. Bonds

About 2-sulfanylideneimidazolidine-1-carboxamide

2-sulfanylideneimidazolidine-1-carboxamide (PubChem CID 143652999) has the molecular formula C4H7N3OS and a molecular weight of 145.19 g/mol. Its IUPAC name is 2-sulfanylideneimidazolidine-1-carboxamide.

Molecular Properties

Compound Name2-sulfanylideneimidazolidine-1-carboxamide
PubChem CID143652999
Molecular FormulaC4H7N3OS
Molecular Weight145.19 g/mol
Exact Mass145.03
IUPAC Name2-sulfanylideneimidazolidine-1-carboxamide
SMILESNC(=O)N1CCNC1=S
InChIInChI=1S/C4H7N3OS/c5-3(8)7-2-1-6-4(7)9/h1-2H2,(H2,5,8)(H,6,9)
InChIKeyMNSYQXOJZMAFPV-UHFFFAOYSA-N
XLogP-0.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylideneimidazolidine-1-carboxamide?
The IUPAC name of 2-sulfanylideneimidazolidine-1-carboxamide (CID 143652999) is 2-sulfanylideneimidazolidine-1-carboxamide.
What is the SMILES notation for 2-sulfanylideneimidazolidine-1-carboxamide?
The canonical SMILES for 2-sulfanylideneimidazolidine-1-carboxamide is NC(=O)N1CCNC1=S.
What is the InChIKey of 2-sulfanylideneimidazolidine-1-carboxamide?
The InChIKey is MNSYQXOJZMAFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS/c5-3(8)7-2-1-6-4(7)9/h1-2H2,(H2,5,8)(H,6,9).
What are the key properties of 2-sulfanylideneimidazolidine-1-carboxamide?
2-sulfanylideneimidazolidine-1-carboxamide has a molecular weight of 145.19 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylideneimidazolidine-1-carboxamide is sourced from PubChem (CID 143652999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).