N-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide

C10H22N2O2S2 — CID 158320858

IUPACN-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide
SMILESC=CNC(C)=O.CS.CSCCNC(C)=O
InChIInChI=1S/C5H11NOS.C4H7NO.CH4S/c1-5(7)6-3-4-8-2;1-3-5-4(2)6;1-2/h3-4H2,1-2H3,(H,6,7);3H,1H2,2H3,(H,5,6);2H,1H3
InChIKeyGOVGILAZDYQZEP-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.30
Rot. Bonds4

About N-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide

N-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide (PubChem CID 158320858) has the molecular formula C10H22N2O2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide.

Molecular Properties

Compound NameN-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide
PubChem CID158320858
Molecular FormulaC10H22N2O2S2
Molecular Weight266.43 g/mol
Exact Mass266.11
IUPAC NameN-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide
SMILESC=CNC(C)=O.CS.CSCCNC(C)=O
InChIInChI=1S/C5H11NOS.C4H7NO.CH4S/c1-5(7)6-3-4-8-2;1-3-5-4(2)6;1-2/h3-4H2,1-2H3,(H,6,7);3H,1H2,2H3,(H,5,6);2H,1H3
InChIKeyGOVGILAZDYQZEP-UHFFFAOYSA-N
XLogP1.30
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylsulfanylbutyl)acetamide
CID 115635829
but-3-en-2-one;N-ethenylacetamide
CID 139410839
S-(2-acetamidoethyl) (213C)ethanethioate
CID 46188004
N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide
CID 87109583
5-hydroxy-N-(2-methylsulfanylethyl)pentanamide
CID 79198659
sodium;ethenesulfonate;N-ethenylacetamide
CID 23715190
N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030280
N-(3-acetamidopropyl)acetamide
CID 5147555
N-(2-methylsulfanylethyl)-5-oxopentanamide
CID 58340929
N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
CID 21030566
CID 155068879
CID 155068879
N-[2-(2-methylpropylsulfanyl)ethyl]acetamide
CID 146329372

Frequently Asked Questions

What is the IUPAC name of N-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide?
The IUPAC name of N-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide (CID 158320858) is N-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide.
What is the SMILES notation for N-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide?
The canonical SMILES for N-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide is C=CNC(C)=O.CS.CSCCNC(C)=O.
What is the InChIKey of N-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide?
The InChIKey is GOVGILAZDYQZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS.C4H7NO.CH4S/c1-5(7)6-3-4-8-2;1-3-5-4(2)6;1-2/h3-4H2,1-2H3,(H,6,7);3H,1H2,2H3,(H,5,6);2H,1H3.
What are the key properties of N-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide?
N-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide has a molecular weight of 266.43 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide is sourced from PubChem (CID 158320858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).