N-(2-ethyl-3-methylbut-2-enyl)-3-propan-2-ylsulfanylpropanamide

C13H25NOS — CID 91024165

IUPACN-(2-ethyl-3-methylbut-2-enyl)-3-propan-2-ylsulfanylpropanamide
SMILESCCC(CNC(=O)CCSC(C)C)=C(C)C
InChIInChI=1S/C13H25NOS/c1-6-12(10(2)3)9-14-13(15)7-8-16-11(4)5/h11H,6-9H2,1-5H3,(H,14,15)
InChIKeyFCTLGFRRDIKWFO-UHFFFAOYSA-N
MW243.42 g/mol
LogP3.38
Rot. Bonds7

About N-(2-ethyl-3-methylbut-2-enyl)-3-propan-2-ylsulfanylpropanamide

N-(2-ethyl-3-methylbut-2-enyl)-3-propan-2-ylsulfanylpropanamide (PubChem CID 91024165) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is N-(2-ethyl-3-methylbut-2-enyl)-3-propan-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-ethyl-3-methylbut-2-enyl)-3-propan-2-ylsulfanylpropanamide
PubChem CID91024165
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC NameN-(2-ethyl-3-methylbut-2-enyl)-3-propan-2-ylsulfanylpropanamide
SMILESCCC(CNC(=O)CCSC(C)C)=C(C)C
InChIInChI=1S/C13H25NOS/c1-6-12(10(2)3)9-14-13(15)7-8-16-11(4)5/h11H,6-9H2,1-5H3,(H,14,15)
InChIKeyFCTLGFRRDIKWFO-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 68198081
2-methyl-N-[2-(2-methyl-2,3-dihydrothiophen-5-yl)ethyl]propanamide
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N-(2,3-dihydrothiophen-5-ylmethyl)propanamide
CID 89102981
(Z)-N-ethyl-3,4-dimethyl-2-propan-2-ylsulfanylpent-2-enamide
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ethane;N-[(Z)-3-ethylsulfanylpent-3-enyl]acetamide
CID 144127153
S-[3-(3-methylbut-3-enoylamino)propyl] ethanethioate
CID 144639484
2-methylidene-N-(3-methylsulfanylpropyl)butanamide
CID 153505962
N-[(E)-2-methyl-1-methylsulfanylpent-2-enyl]acetamide
CID 155371477
N-ethyl-2-(propylsulfanylmethylidene)butanamide
CID 173467593
N-({1-[2-(ethylthio)ethyl]-1,2,3,6-tetrahydropyridin-4-yl}methyl)acetamide
CID 50980330
(3Z,5Z)-N-butyl-2,4,6-trimethyl-7-methylsulfanylhepta-3,5-dienamide
CID 101985323

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-methylbut-2-enyl)-3-propan-2-ylsulfanylpropanamide?
The IUPAC name of N-(2-ethyl-3-methylbut-2-enyl)-3-propan-2-ylsulfanylpropanamide (CID 91024165) is N-(2-ethyl-3-methylbut-2-enyl)-3-propan-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(2-ethyl-3-methylbut-2-enyl)-3-propan-2-ylsulfanylpropanamide?
The canonical SMILES for N-(2-ethyl-3-methylbut-2-enyl)-3-propan-2-ylsulfanylpropanamide is CCC(CNC(=O)CCSC(C)C)=C(C)C.
What is the InChIKey of N-(2-ethyl-3-methylbut-2-enyl)-3-propan-2-ylsulfanylpropanamide?
The InChIKey is FCTLGFRRDIKWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-6-12(10(2)3)9-14-13(15)7-8-16-11(4)5/h11H,6-9H2,1-5H3,(H,14,15).
What are the key properties of N-(2-ethyl-3-methylbut-2-enyl)-3-propan-2-ylsulfanylpropanamide?
N-(2-ethyl-3-methylbut-2-enyl)-3-propan-2-ylsulfanylpropanamide has a molecular weight of 243.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-methylbut-2-enyl)-3-propan-2-ylsulfanylpropanamide is sourced from PubChem (CID 91024165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).