(Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide

C6H10N2OS — CID 142896016

IUPAC(Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide
SMILESCNC(=O)/C(C)=C\NC=S
InChIInChI=1S/C6H10N2OS/c1-5(3-8-4-10)6(9)7-2/h3-4H,1-2H3,(H,7,9)(H,8,10)/b5-3-
InChIKeyFHKPCWDUIUXXRY-HYXAFXHYSA-N
MW158.23 g/mol
LogP0.18
Rot. Bonds3

About (Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide

(Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide (PubChem CID 142896016) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is (Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide
PubChem CID142896016
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name(Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide
SMILESCNC(=O)/C(C)=C\NC=S
InChIInChI=1S/C6H10N2OS/c1-5(3-8-4-10)6(9)7-2/h3-4H,1-2H3,(H,7,9)(H,8,10)/b5-3-
InChIKeyFHKPCWDUIUXXRY-HYXAFXHYSA-N
XLogP0.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide?
The IUPAC name of (Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide (CID 142896016) is (Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide.
What is the SMILES notation for (Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide?
The canonical SMILES for (Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide is CNC(=O)/C(C)=C\NC=S.
What is the InChIKey of (Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide?
The InChIKey is FHKPCWDUIUXXRY-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-5(3-8-4-10)6(9)7-2/h3-4H,1-2H3,(H,7,9)(H,8,10)/b5-3-.
What are the key properties of (Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide?
(Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide has a molecular weight of 158.23 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 142896016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).