N-prop-2-enylpropanethioamide

C6H11NS — CID 15420967

IUPACN-prop-2-enylpropanethioamide
SMILESC=CCNC(=S)CC
InChIInChI=1S/C6H11NS/c1-3-5-7-6(8)4-2/h3H,1,4-5H2,2H3,(H,7,8)
InChIKeyVOPUCLBQGDZVSN-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.50
Rot. Bonds3

About N-prop-2-enylpropanethioamide

N-prop-2-enylpropanethioamide (PubChem CID 15420967) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is N-prop-2-enylpropanethioamide.

Molecular Properties

Compound NameN-prop-2-enylpropanethioamide
PubChem CID15420967
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC NameN-prop-2-enylpropanethioamide
SMILESC=CCNC(=S)CC
InChIInChI=1S/C6H11NS/c1-3-5-7-6(8)4-2/h3H,1,4-5H2,2H3,(H,7,8)
InChIKeyVOPUCLBQGDZVSN-UHFFFAOYSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylidene-N-prop-2-enylpent-1-en-2-amine
CID 143353048
2,2-diethyl-N-prop-2-enylbutanethioamide
CID 23622245
copper(1+);prop-2-enylcarbamothioylazanide
CID 175057114
ethane;N-prop-2-enylprop-2-enamide
CID 142535548
O-propan-2-yl N-prop-2-enylcarbamothioate
CID 88844245
1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea
CID 5192856
N-(2-fluoroethyl)propanethioamide
CID 175723324
1-(2-methoxyethyl)-3-prop-2-enylthiourea
CID 19652099
[(1S)-1-ethoxyethyl] N-prop-2-enylcarbamodithioate
CID 124705607
2-methyl-N-prop-2-enylbutanamide
CID 20811204
molybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid
CID 88616923
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylpropanethioamide?
The IUPAC name of N-prop-2-enylpropanethioamide (CID 15420967) is N-prop-2-enylpropanethioamide.
What is the SMILES notation for N-prop-2-enylpropanethioamide?
The canonical SMILES for N-prop-2-enylpropanethioamide is C=CCNC(=S)CC.
What is the InChIKey of N-prop-2-enylpropanethioamide?
The InChIKey is VOPUCLBQGDZVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-3-5-7-6(8)4-2/h3H,1,4-5H2,2H3,(H,7,8).
What are the key properties of N-prop-2-enylpropanethioamide?
N-prop-2-enylpropanethioamide has a molecular weight of 129.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylpropanethioamide is sourced from PubChem (CID 15420967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).