N-(2-hydroxyethyl)-N-(1-methylsulfanylprop-1-en-2-yl)formamide

C7H13NO2S — CID 71320511

IUPACN-(2-hydroxyethyl)-N-(1-methylsulfanylprop-1-en-2-yl)formamide
SMILESCSC=C(C)N(C=O)CCO
InChIInChI=1S/C7H13NO2S/c1-7(5-11-2)8(6-10)3-4-9/h5-6,9H,3-4H2,1-2H3
InChIKeyCUSSJXBVFAVKPY-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.66
Rot. Bonds5

About N-(2-hydroxyethyl)-N-(1-methylsulfanylprop-1-en-2-yl)formamide

N-(2-hydroxyethyl)-N-(1-methylsulfanylprop-1-en-2-yl)formamide (PubChem CID 71320511) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(1-methylsulfanylprop-1-en-2-yl)formamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(1-methylsulfanylprop-1-en-2-yl)formamide
PubChem CID71320511
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC NameN-(2-hydroxyethyl)-N-(1-methylsulfanylprop-1-en-2-yl)formamide
SMILESCSC=C(C)N(C=O)CCO
InChIInChI=1S/C7H13NO2S/c1-7(5-11-2)8(6-10)3-4-9/h5-6,9H,3-4H2,1-2H3
InChIKeyCUSSJXBVFAVKPY-UHFFFAOYSA-N
XLogP0.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(1-methylsulfanylprop-1-en-2-yl)formamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(1-methylsulfanylprop-1-en-2-yl)formamide (CID 71320511) is N-(2-hydroxyethyl)-N-(1-methylsulfanylprop-1-en-2-yl)formamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(1-methylsulfanylprop-1-en-2-yl)formamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(1-methylsulfanylprop-1-en-2-yl)formamide is CSC=C(C)N(C=O)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-(1-methylsulfanylprop-1-en-2-yl)formamide?
The InChIKey is CUSSJXBVFAVKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-7(5-11-2)8(6-10)3-4-9/h5-6,9H,3-4H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-(1-methylsulfanylprop-1-en-2-yl)formamide?
N-(2-hydroxyethyl)-N-(1-methylsulfanylprop-1-en-2-yl)formamide has a molecular weight of 175.25 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(1-methylsulfanylprop-1-en-2-yl)formamide is sourced from PubChem (CID 71320511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).