N-ethyl-2-(2-ethylsulfanylethyl)but-3-ynamide

C10H17NOS — CID 126514110

IUPACN-ethyl-2-(2-ethylsulfanylethyl)but-3-ynamide
SMILESC#CC(CCSCC)C(=O)NCC
InChIInChI=1S/C10H17NOS/c1-4-9(7-8-13-6-3)10(12)11-5-2/h1,9H,5-8H2,2-3H3,(H,11,12)
InChIKeyBRRUBSMUMHHOAA-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.52
Rot. Bonds6

About N-ethyl-2-(2-ethylsulfanylethyl)but-3-ynamide

N-ethyl-2-(2-ethylsulfanylethyl)but-3-ynamide (PubChem CID 126514110) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is N-ethyl-2-(2-ethylsulfanylethyl)but-3-ynamide.

Molecular Properties

Compound NameN-ethyl-2-(2-ethylsulfanylethyl)but-3-ynamide
PubChem CID126514110
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC NameN-ethyl-2-(2-ethylsulfanylethyl)but-3-ynamide
SMILESC#CC(CCSCC)C(=O)NCC
InChIInChI=1S/C10H17NOS/c1-4-9(7-8-13-6-3)10(12)11-5-2/h1,9H,5-8H2,2-3H3,(H,11,12)
InChIKeyBRRUBSMUMHHOAA-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide
CID 115662209
2-amino-N-ethyl-3-ethylsulfanylpropanamide
CID 13059396
2-(2-ethylsulfanylethyl)propanedioic acid
CID 87754532
ethyl (2S)-2-(ethylamino)-4-ethylsulfanylbutanoate
CID 151544436
(2S)-2-(chloroamino)-4-ethylsulfanylbutanoic acid
CID 150236814
N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide
CID 106428869
4-ethylsulfanyl-2-(2-hydroxypropanoylamino)butanoic acid
CID 87754677
2-acetamido-4-ethylsulfanylbutanoic acid
CID 2724725
(2S)-4-ethylsulfanyl-2-(methylamino)butanoic acid;sulfane;hydrochloride
CID 173356082
2-cyanato-4-ethylsulfanylbutanoic acid
CID 146514055
N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide
CID 90338985
N-ethyl-2-(prop-2-ynylamino)propanamide
CID 43086396

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-ethylsulfanylethyl)but-3-ynamide?
The IUPAC name of N-ethyl-2-(2-ethylsulfanylethyl)but-3-ynamide (CID 126514110) is N-ethyl-2-(2-ethylsulfanylethyl)but-3-ynamide.
What is the SMILES notation for N-ethyl-2-(2-ethylsulfanylethyl)but-3-ynamide?
The canonical SMILES for N-ethyl-2-(2-ethylsulfanylethyl)but-3-ynamide is C#CC(CCSCC)C(=O)NCC.
What is the InChIKey of N-ethyl-2-(2-ethylsulfanylethyl)but-3-ynamide?
The InChIKey is BRRUBSMUMHHOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-4-9(7-8-13-6-3)10(12)11-5-2/h1,9H,5-8H2,2-3H3,(H,11,12).
What are the key properties of N-ethyl-2-(2-ethylsulfanylethyl)but-3-ynamide?
N-ethyl-2-(2-ethylsulfanylethyl)but-3-ynamide has a molecular weight of 199.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-ethylsulfanylethyl)but-3-ynamide is sourced from PubChem (CID 126514110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).