N-ethyl-N-sulfanylprop-2-enamide

C5H9NOS — CID 154365527

IUPACN-ethyl-N-sulfanylprop-2-enamide
SMILESC=CC(=O)N(S)CC
InChIInChI=1S/C5H9NOS/c1-3-5(7)6(8)4-2/h3,8H,1,4H2,2H3
InChIKeyQATCHUAGIXSMES-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.87
Rot. Bonds2

About N-ethyl-N-sulfanylprop-2-enamide

N-ethyl-N-sulfanylprop-2-enamide (PubChem CID 154365527) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is N-ethyl-N-sulfanylprop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-sulfanylprop-2-enamide
PubChem CID154365527
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC NameN-ethyl-N-sulfanylprop-2-enamide
SMILESC=CC(=O)N(S)CC
InChIInChI=1S/C5H9NOS/c1-3-5(7)6(8)4-2/h3,8H,1,4H2,2H3
InChIKeyQATCHUAGIXSMES-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-ethyl-N-sulfanylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-hydroxyprop-2-enamide
CID 19022461
N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide
CID 87562000
N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 43616725
N-cyclopropyl-N-ethylprop-2-enamide
CID 43616584
N,N-bis(ethylaminomethyl)prop-2-enamide
CID 23174711
N-ethyl-N-(2-oxoethyl)prop-2-enamide
CID 90459922
N-methyl-N-(sulfanylmethyl)prop-2-enamide
CID 170148935
N-(2-aminoacetyl)-N-ethylprop-2-enamide
CID 87561036
N-ethyl-N',N'-bis(prop-2-enyl)prop-2-enehydrazide
CID 87932412
N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 118586506
N'-ethyl-N-propylprop-2-enehydrazide
CID 87504958
N-ethylsulfonyl-N-methylprop-2-enamide
CID 148776379

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-sulfanylprop-2-enamide?
The IUPAC name of N-ethyl-N-sulfanylprop-2-enamide (CID 154365527) is N-ethyl-N-sulfanylprop-2-enamide.
What is the SMILES notation for N-ethyl-N-sulfanylprop-2-enamide?
The canonical SMILES for N-ethyl-N-sulfanylprop-2-enamide is C=CC(=O)N(S)CC.
What is the InChIKey of N-ethyl-N-sulfanylprop-2-enamide?
The InChIKey is QATCHUAGIXSMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-3-5(7)6(8)4-2/h3,8H,1,4H2,2H3.
What are the key properties of N-ethyl-N-sulfanylprop-2-enamide?
N-ethyl-N-sulfanylprop-2-enamide has a molecular weight of 131.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-sulfanylprop-2-enamide is sourced from PubChem (CID 154365527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).