3-cyclopropyl-N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propan-1-amine

C7H15NO2S — CID 57028057

IUPAC3-cyclopropyl-N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propan-1-amine
SMILESC=S(=O)(O)NCCCC1CC1
InChIInChI=1S/C7H15NO2S/c1-11(9,10)8-6-2-3-7-4-5-7/h7H,1-6H2,(H2,8,9,10)
InChIKeyMOVLSKUHAMDHJR-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.87
Rot. Bonds5

About 3-cyclopropyl-N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propan-1-amine

3-cyclopropyl-N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propan-1-amine (PubChem CID 57028057) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-cyclopropyl-N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propan-1-amine
PubChem CID57028057
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name3-cyclopropyl-N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propan-1-amine
SMILESC=S(=O)(O)NCCCC1CC1
InChIInChI=1S/C7H15NO2S/c1-11(9,10)8-6-2-3-7-4-5-7/h7H,1-6H2,(H2,8,9,10)
InChIKeyMOVLSKUHAMDHJR-UHFFFAOYSA-N
XLogP0.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propan-1-amine (CID 57028057) is 3-cyclopropyl-N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propan-1-amine is C=S(=O)(O)NCCCC1CC1.
What is the InChIKey of 3-cyclopropyl-N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propan-1-amine?
The InChIKey is MOVLSKUHAMDHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-11(9,10)8-6-2-3-7-4-5-7/h7H,1-6H2,(H2,8,9,10).
What are the key properties of 3-cyclopropyl-N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propan-1-amine?
3-cyclopropyl-N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propan-1-amine has a molecular weight of 177.27 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propan-1-amine is sourced from PubChem (CID 57028057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).