N-ethanethioyl-2-methylprop-2-enamide

C6H9NOS — CID 89169552

IUPACN-ethanethioyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)=S
InChIInChI=1S/C6H9NOS/c1-4(2)6(8)7-5(3)9/h1H2,2-3H3,(H,7,8,9)
InChIKeyMQFSFEAIPREFSV-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.03
Rot. Bonds1

About N-ethanethioyl-2-methylprop-2-enamide

N-ethanethioyl-2-methylprop-2-enamide (PubChem CID 89169552) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is N-ethanethioyl-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-ethanethioyl-2-methylprop-2-enamide
PubChem CID89169552
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC NameN-ethanethioyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)=S
InChIInChI=1S/C6H9NOS/c1-4(2)6(8)7-5(3)9/h1H2,2-3H3,(H,7,8,9)
InChIKeyMQFSFEAIPREFSV-UHFFFAOYSA-N
XLogP1.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-di(ethanethioyl)oxamide
CID 122628439
2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide
CID 14817903
N-(1-hydroxyethenyl)-2-methylprop-2-enamide
CID 174577557
2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide
CID 154307260
2,3-dimethyl-N-(2-methylprop-2-enoyl)but-2-enamide
CID 175801770
ethane;N-ethanethioylacetamide
CID 142038658
N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide
CID 20633703
(E)-3-(2-methylprop-2-enoylamino)but-2-enoic acid
CID 88902776
N,2-dimethylprop-2-enamide;ethane
CID 142291054
N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide
CID 144714504
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
N-(2-methylprop-2-enoyl)heptadecanamide
CID 91422335

Frequently Asked Questions

What is the IUPAC name of N-ethanethioyl-2-methylprop-2-enamide?
The IUPAC name of N-ethanethioyl-2-methylprop-2-enamide (CID 89169552) is N-ethanethioyl-2-methylprop-2-enamide.
What is the SMILES notation for N-ethanethioyl-2-methylprop-2-enamide?
The canonical SMILES for N-ethanethioyl-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)=S.
What is the InChIKey of N-ethanethioyl-2-methylprop-2-enamide?
The InChIKey is MQFSFEAIPREFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-4(2)6(8)7-5(3)9/h1H2,2-3H3,(H,7,8,9).
What are the key properties of N-ethanethioyl-2-methylprop-2-enamide?
N-ethanethioyl-2-methylprop-2-enamide has a molecular weight of 143.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethanethioyl-2-methylprop-2-enamide is sourced from PubChem (CID 89169552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).