N,N-bis(ethylsulfanyl)-2-methylprop-2-enamide

C8H15NOS2 — CID 20554156

IUPACN,N-bis(ethylsulfanyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(SCC)SCC
InChIInChI=1S/C8H15NOS2/c1-5-11-9(12-6-2)8(10)7(3)4/h3,5-6H2,1-2,4H3
InChIKeyUPJATFWGEOJCHU-UHFFFAOYSA-N
MW205.35 g/mol
LogP2.73
Rot. Bonds5

About N,N-bis(ethylsulfanyl)-2-methylprop-2-enamide

N,N-bis(ethylsulfanyl)-2-methylprop-2-enamide (PubChem CID 20554156) has the molecular formula C8H15NOS2 and a molecular weight of 205.35 g/mol. Its IUPAC name is N,N-bis(ethylsulfanyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN,N-bis(ethylsulfanyl)-2-methylprop-2-enamide
PubChem CID20554156
Molecular FormulaC8H15NOS2
Molecular Weight205.35 g/mol
Exact Mass205.06
IUPAC NameN,N-bis(ethylsulfanyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(SCC)SCC
InChIInChI=1S/C8H15NOS2/c1-5-11-9(12-6-2)8(10)7(3)4/h3,5-6H2,1-2,4H3
InChIKeyUPJATFWGEOJCHU-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(ethylsulfanyl)carbamothioic S-acid
CID 20529645
N,N-bis(ethylsulfanyl)but-3-enamide
CID 45118434
N-tert-butyl-2-methyl-N-propylprop-2-enamide
CID 157254110
azane;N,N,2-trimethylprop-2-enamide
CID 162327856
N,N-diacetyl-2-methylprop-2-enamide
CID 22336365
bis(ethylsulfanyl)carbamothioyl 2-methylidenepentanoate
CID 87718442
N-(iodomethyl)-N,2-dimethylprop-2-enamide
CID 146497620
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
2-methyl-N-pentylprop-2-enehydrazide
CID 87197020
2-methyl-N-phenyl-N-propylsulfanylprop-2-enamide
CID 20554137
N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide
CID 87504496
2-[2-methylprop-2-enoyl(propyl)amino]acetic acid
CID 150716487

Frequently Asked Questions

What is the IUPAC name of N,N-bis(ethylsulfanyl)-2-methylprop-2-enamide?
The IUPAC name of N,N-bis(ethylsulfanyl)-2-methylprop-2-enamide (CID 20554156) is N,N-bis(ethylsulfanyl)-2-methylprop-2-enamide.
What is the SMILES notation for N,N-bis(ethylsulfanyl)-2-methylprop-2-enamide?
The canonical SMILES for N,N-bis(ethylsulfanyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(SCC)SCC.
What is the InChIKey of N,N-bis(ethylsulfanyl)-2-methylprop-2-enamide?
The InChIKey is UPJATFWGEOJCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS2/c1-5-11-9(12-6-2)8(10)7(3)4/h3,5-6H2,1-2,4H3.
What are the key properties of N,N-bis(ethylsulfanyl)-2-methylprop-2-enamide?
N,N-bis(ethylsulfanyl)-2-methylprop-2-enamide has a molecular weight of 205.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(ethylsulfanyl)-2-methylprop-2-enamide is sourced from PubChem (CID 20554156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).