2-sulfanylcyclopropane-1-carboxamide

C4H7NOS — CID 123387138

IUPAC2-sulfanylcyclopropane-1-carboxamide
SMILESNC(=O)C1CC1S
InChIInChI=1S/C4H7NOS/c5-4(6)2-1-3(2)7/h2-3,7H,1H2,(H2,5,6)
InChIKeyDEGCOXMKUMZVQT-UHFFFAOYSA-N
MW117.17 g/mol
LogP-0.21
Rot. Bonds1

About 2-sulfanylcyclopropane-1-carboxamide

2-sulfanylcyclopropane-1-carboxamide (PubChem CID 123387138) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is 2-sulfanylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-sulfanylcyclopropane-1-carboxamide
PubChem CID123387138
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name2-sulfanylcyclopropane-1-carboxamide
SMILESNC(=O)C1CC1S
InChIInChI=1S/C4H7NOS/c5-4(6)2-1-3(2)7/h2-3,7H,1H2,(H2,5,6)
InChIKeyDEGCOXMKUMZVQT-UHFFFAOYSA-N
XLogP-0.21
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylcyclopropane-1-carboxamide?
The IUPAC name of 2-sulfanylcyclopropane-1-carboxamide (CID 123387138) is 2-sulfanylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-sulfanylcyclopropane-1-carboxamide?
The canonical SMILES for 2-sulfanylcyclopropane-1-carboxamide is NC(=O)C1CC1S.
What is the InChIKey of 2-sulfanylcyclopropane-1-carboxamide?
The InChIKey is DEGCOXMKUMZVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS/c5-4(6)2-1-3(2)7/h2-3,7H,1H2,(H2,5,6).
What are the key properties of 2-sulfanylcyclopropane-1-carboxamide?
2-sulfanylcyclopropane-1-carboxamide has a molecular weight of 117.17 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylcyclopropane-1-carboxamide is sourced from PubChem (CID 123387138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).