3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide

C11H22N2OS — CID 106427513

IUPAC3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide
SMILESC=CCSCCNC(=O)C(C)CNCC
InChIInChI=1S/C11H22N2OS/c1-4-7-15-8-6-13-11(14)10(3)9-12-5-2/h4,10,12H,1,5-9H2,2-3H3,(H,13,14)
InChIKeyVJEVSPOKGLYGKX-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.27
Rot. Bonds9

About 3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide

3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide (PubChem CID 106427513) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide
PubChem CID106427513
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide
SMILESC=CCSCCNC(=O)C(C)CNCC
InChIInChI=1S/C11H22N2OS/c1-4-7-15-8-6-13-11(14)10(3)9-12-5-2/h4,10,12H,1,5-9H2,2-3H3,(H,13,14)
InChIKeyVJEVSPOKGLYGKX-UHFFFAOYSA-N
XLogP1.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide
CID 106433479
2-methyl-3-oxo-3-(2-prop-2-enylsulfanylethylamino)propanoic acid
CID 106433133
3-methyl-N-(2-prop-2-enylsulfanylethyl)-2-sulfanylbutanamide
CID 106433485
(2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide
CID 103833010
3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586
4-methyl-2-(2-prop-2-enylsulfanylethylcarbamoylamino)pentanoic acid
CID 113363770
3-methyl-5-oxo-5-(2-prop-2-enylsulfanylethylamino)pentanoic acid
CID 106426614
3-[ethyl(2-prop-2-enylsulfanylethylcarbamoyl)amino]butanoic acid
CID 106430357
2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide
CID 106427805
5-(ethylamino)-4-methylpent-1-en-3-one
CID 116565247
(2S)-2-(2-prop-2-enylsulfanylethylcarbamoylamino)hexanoic acid
CID 106430717
2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 104668793

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide (CID 106427513) is 3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide is C=CCSCCNC(=O)C(C)CNCC.
What is the InChIKey of 3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide?
The InChIKey is VJEVSPOKGLYGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-4-7-15-8-6-13-11(14)10(3)9-12-5-2/h4,10,12H,1,5-9H2,2-3H3,(H,13,14).
What are the key properties of 3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide?
3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide has a molecular weight of 230.38 g/mol, XLogP of 1.27, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide is sourced from PubChem (CID 106427513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).