N-sulfanylcyclopropanecarboxamide

C4H7NOS — CID 123413903

IUPACN-sulfanylcyclopropanecarboxamide
SMILESO=C(NS)C1CC1
InChIInChI=1S/C4H7NOS/c6-4(5-7)3-1-2-3/h3,7H,1-2H2,(H,5,6)
InChIKeyRMLGYERCDRAEIC-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.36
Rot. Bonds1

About N-sulfanylcyclopropanecarboxamide

N-sulfanylcyclopropanecarboxamide (PubChem CID 123413903) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is N-sulfanylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-sulfanylcyclopropanecarboxamide
PubChem CID123413903
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC NameN-sulfanylcyclopropanecarboxamide
SMILESO=C(NS)C1CC1
InChIInChI=1S/C4H7NOS/c6-4(5-7)3-1-2-3/h3,7H,1-2H2,(H,5,6)
InChIKeyRMLGYERCDRAEIC-UHFFFAOYSA-N
XLogP0.36
TPSA29.10 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 ≤ 50.36
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

N-oxidocyclopropanecarboxamide
CID 15413548
4-N-methylcyclohexane-1,4-dicarboxamide
CID 131039944
N-[amino(sulfanyl)methyl]cyclopropanecarboxamide
CID 89065583
N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine
CID 145422265
N-methyl-4-propanoylcyclohexane-1-carboxamide
CID 170174898
N'-acetylcyclopropanecarbohydrazide
CID 118429111
4-sulfanyl-N-[2-[(4-sulfanylcyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide
CID 171722592
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-methyl-1-sulfanylpiperidine-4-carboxamide
CID 88912319
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179
CID 89404179
CID 89404179

Frequently Asked Questions

What is the IUPAC name of N-sulfanylcyclopropanecarboxamide?
The IUPAC name of N-sulfanylcyclopropanecarboxamide (CID 123413903) is N-sulfanylcyclopropanecarboxamide.
What is the SMILES notation for N-sulfanylcyclopropanecarboxamide?
The canonical SMILES for N-sulfanylcyclopropanecarboxamide is O=C(NS)C1CC1.
What is the InChIKey of N-sulfanylcyclopropanecarboxamide?
The InChIKey is RMLGYERCDRAEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS/c6-4(5-7)3-1-2-3/h3,7H,1-2H2,(H,5,6).
What are the key properties of N-sulfanylcyclopropanecarboxamide?
N-sulfanylcyclopropanecarboxamide has a molecular weight of 117.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-sulfanylcyclopropanecarboxamide is sourced from PubChem (CID 123413903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).