N,N-bis(ethylsulfanyl)but-3-enamide

C8H15NOS2 — CID 45118434

IUPACN,N-bis(ethylsulfanyl)but-3-enamide
SMILESC=CCC(=O)N(SCC)SCC
InChIInChI=1S/C8H15NOS2/c1-4-7-8(10)9(11-5-2)12-6-3/h4H,1,5-7H2,2-3H3
InChIKeyOBNBWVOGZLMZJN-UHFFFAOYSA-N
MW205.35 g/mol
LogP2.73
Rot. Bonds6

About N,N-bis(ethylsulfanyl)but-3-enamide

N,N-bis(ethylsulfanyl)but-3-enamide (PubChem CID 45118434) has the molecular formula C8H15NOS2 and a molecular weight of 205.35 g/mol. Its IUPAC name is N,N-bis(ethylsulfanyl)but-3-enamide.

Molecular Properties

Compound NameN,N-bis(ethylsulfanyl)but-3-enamide
PubChem CID45118434
Molecular FormulaC8H15NOS2
Molecular Weight205.35 g/mol
Exact Mass205.06
IUPAC NameN,N-bis(ethylsulfanyl)but-3-enamide
SMILESC=CCC(=O)N(SCC)SCC
InChIInChI=1S/C8H15NOS2/c1-4-7-8(10)9(11-5-2)12-6-3/h4H,1,5-7H2,2-3H3
InChIKeyOBNBWVOGZLMZJN-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylbut-3-enamide
CID 12545744
N-ethyl-N-methylbut-3-enamide
CID 23466641
ethane;N-ethyl-N-methylbut-3-enamide
CID 142224309
bis(ethylsulfanyl)carbamothioic S-acid
CID 20529645
1-ethylsulfanylpent-4-en-2-one
CID 65131323
N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide
CID 104553462
(213C)pent-4-en-2-one
CID 173180315
but-3-enoate;triethyl(prop-2-enyl)azanium
CID 174488923
2-[but-3-enoyl(methyl)amino]propanoic acid
CID 62679875
tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate
CID 51050847
N,N-dibenzylbut-3-enamide
CID 134848345
ethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride
CID 173337215

Frequently Asked Questions

What is the IUPAC name of N,N-bis(ethylsulfanyl)but-3-enamide?
The IUPAC name of N,N-bis(ethylsulfanyl)but-3-enamide (CID 45118434) is N,N-bis(ethylsulfanyl)but-3-enamide.
What is the SMILES notation for N,N-bis(ethylsulfanyl)but-3-enamide?
The canonical SMILES for N,N-bis(ethylsulfanyl)but-3-enamide is C=CCC(=O)N(SCC)SCC.
What is the InChIKey of N,N-bis(ethylsulfanyl)but-3-enamide?
The InChIKey is OBNBWVOGZLMZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS2/c1-4-7-8(10)9(11-5-2)12-6-3/h4H,1,5-7H2,2-3H3.
What are the key properties of N,N-bis(ethylsulfanyl)but-3-enamide?
N,N-bis(ethylsulfanyl)but-3-enamide has a molecular weight of 205.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(ethylsulfanyl)but-3-enamide is sourced from PubChem (CID 45118434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).