N-(2-hydroxyethyl)-N-[(E)-1-methylsulfanylprop-1-en-2-yl]formamide

C7H13NO2S — CID 171377814

IUPACN-(2-hydroxyethyl)-N-[(E)-1-methylsulfanylprop-1-en-2-yl]formamide
SMILESCS/C=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/b7-5+
InChIKeyCUSSJXBVFAVKPY-FNORWQNLSA-N
MW175.25 g/mol
LogP0.66
Rot. Bonds5

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

N-(2-hydroxyethyl)-N-[(E)-1-methylsulfanylprop-1-en-2-yl]formamide (PubChem CID 171377814) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(E)-1-methylsulfanylprop-1-en-2-yl]formamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(E)-1-methylsulfanylprop-1-en-2-yl]formamide
PubChem CID171377814
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC NameN-(2-hydroxyethyl)-N-[(E)-1-methylsulfanylprop-1-en-2-yl]formamide
SMILESCS/C=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/b7-5+
InChIKeyCUSSJXBVFAVKPY-FNORWQNLSA-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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Related Compounds

3-(3-Fluoro-2-hydroxypropyl)-4-methyl-2,3-dihydro-1,3-thiazol-2-one
CID 165595264
2-hydroxy-2,5-dimethyl-3H-1,4-thiazine-4-carbaldehyde
CID 131842849
3-(1-Hydroxyethyl)-4-methyl-1,3-thiazol-2-one
CID 17980717
3-(2-Hydroxyethyl)-4-methyl-1,3-thiazol-2-one
CID 43509711
N-(2-hydroxyethyl)-N-[1-(propan-2-yldisulfanyl)prop-1-en-2-yl]acetamide
CID 53825433
N-(2-hydroxyethyl)-N-[1-(propan-2-yldisulfanyl)prop-1-en-2-yl]formamide
CID 54543919
N-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide
CID 151328399
N-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]acetamide
CID 173331295
N-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]formamide
CID 173331299
2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate
CID 174622114
3-(2-Hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 60884269
N-(2-Hydroxyethyl)-N-[1-(methylsulfanyl)prop-1-en-2-yl]formamide
CID 71320511

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(E)-1-methylsulfanylprop-1-en-2-yl]formamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(E)-1-methylsulfanylprop-1-en-2-yl]formamide (CID 171377814) is N-(2-hydroxyethyl)-N-[(E)-1-methylsulfanylprop-1-en-2-yl]formamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(E)-1-methylsulfanylprop-1-en-2-yl]formamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(E)-1-methylsulfanylprop-1-en-2-yl]formamide is CS/C=C(\C)N(C=O)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(E)-1-methylsulfanylprop-1-en-2-yl]formamide?
The InChIKey is CUSSJXBVFAVKPY-FNORWQNLSA-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/b7-5+.
What are the key properties of N-(2-hydroxyethyl)-N-[(E)-1-methylsulfanylprop-1-en-2-yl]formamide?
N-(2-hydroxyethyl)-N-[(E)-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-[(E)-1-methylsulfanylprop-1-en-2-yl]formamide is sourced from PubChem (CID 171377814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).