2-(4-methylsulfanylbutan-2-ylamino)-N-prop-2-enylpropanamide

C11H22N2OS — CID 115639024

IUPAC2-(4-methylsulfanylbutan-2-ylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC(C)CCSC
InChIInChI=1S/C11H22N2OS/c1-5-7-12-11(14)10(3)13-9(2)6-8-15-4/h5,9-10,13H,1,6-8H2,2-4H3,(H,12,14)
InChIKeyNPLVKBIBMVQCFJ-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.41
Rot. Bonds8

About 2-(4-methylsulfanylbutan-2-ylamino)-N-prop-2-enylpropanamide

2-(4-methylsulfanylbutan-2-ylamino)-N-prop-2-enylpropanamide (PubChem CID 115639024) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-(4-methylsulfanylbutan-2-ylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(4-methylsulfanylbutan-2-ylamino)-N-prop-2-enylpropanamide
PubChem CID115639024
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name2-(4-methylsulfanylbutan-2-ylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC(C)CCSC
InChIInChI=1S/C11H22N2OS/c1-5-7-12-11(14)10(3)13-9(2)6-8-15-4/h5,9-10,13H,1,6-8H2,2-4H3,(H,12,14)
InChIKeyNPLVKBIBMVQCFJ-UHFFFAOYSA-N
XLogP1.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate
CID 115639047
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
(2R)-4-methylsulfanyl-2-(prop-2-enylcarbamoylamino)butanoic acid
CID 40640546
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2S)-2-chloro-N-prop-2-enylpropanamide
CID 14203945
N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide
CID 7971393
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
CID 60811246
2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide
CID 103516049
2-(2-methoxypropylamino)-N-prop-2-enylpropanamide
CID 102697960
2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpropanoic acid
CID 43086545

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylbutan-2-ylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(4-methylsulfanylbutan-2-ylamino)-N-prop-2-enylpropanamide (CID 115639024) is 2-(4-methylsulfanylbutan-2-ylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(4-methylsulfanylbutan-2-ylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(4-methylsulfanylbutan-2-ylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NC(C)CCSC.
What is the InChIKey of 2-(4-methylsulfanylbutan-2-ylamino)-N-prop-2-enylpropanamide?
The InChIKey is NPLVKBIBMVQCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-5-7-12-11(14)10(3)13-9(2)6-8-15-4/h5,9-10,13H,1,6-8H2,2-4H3,(H,12,14).
What are the key properties of 2-(4-methylsulfanylbutan-2-ylamino)-N-prop-2-enylpropanamide?
2-(4-methylsulfanylbutan-2-ylamino)-N-prop-2-enylpropanamide has a molecular weight of 230.38 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylbutan-2-ylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 115639024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).