N-prop-2-enylthiane-3-carboxamide

C9H15NOS — CID 110848141

IUPACN-prop-2-enylthiane-3-carboxamide
SMILESC=CCNC(=O)C1CCCSC1
InChIInChI=1S/C9H15NOS/c1-2-5-10-9(11)8-4-3-6-12-7-8/h2,8H,1,3-7H2,(H,10,11)
InChIKeyXIWCSVWTEBKUBZ-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.43
Rot. Bonds3

About N-prop-2-enylthiane-3-carboxamide

N-prop-2-enylthiane-3-carboxamide (PubChem CID 110848141) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is N-prop-2-enylthiane-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-enylthiane-3-carboxamide
PubChem CID110848141
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC NameN-prop-2-enylthiane-3-carboxamide
SMILESC=CCNC(=O)C1CCCSC1
InChIInChI=1S/C9H15NOS/c1-2-5-10-9(11)8-4-3-6-12-7-8/h2,8H,1,3-7H2,(H,10,11)
InChIKeyXIWCSVWTEBKUBZ-UHFFFAOYSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoroethyl)thiane-3-carboxamide
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N-prop-2-enylpiperidine-3-carboxamide;hydrochloride
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N-(2-phenylethyl)thiane-3-carboxamide
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N-cyclohexylthiane-3-carboxamide
CID 110848935
N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide
CID 4301039
1-hydroxy-N-prop-2-enylazetidine-3-carboxamide
CID 67355505
(3S)-N-prop-2-enylpyrrolidine-3-carboxamide
CID 94915636
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide
CID 115362677
N-(4-acetamidophenyl)thiane-3-carboxamide
CID 110861474
(3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 7030681
N-(2-oxopropyl)thiolane-3-carboxamide
CID 64997229
N-(2-methylpropyl)thiolane-3-carboxamide
CID 64592330

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylthiane-3-carboxamide?
The IUPAC name of N-prop-2-enylthiane-3-carboxamide (CID 110848141) is N-prop-2-enylthiane-3-carboxamide.
What is the SMILES notation for N-prop-2-enylthiane-3-carboxamide?
The canonical SMILES for N-prop-2-enylthiane-3-carboxamide is C=CCNC(=O)C1CCCSC1.
What is the InChIKey of N-prop-2-enylthiane-3-carboxamide?
The InChIKey is XIWCSVWTEBKUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-2-5-10-9(11)8-4-3-6-12-7-8/h2,8H,1,3-7H2,(H,10,11).
What are the key properties of N-prop-2-enylthiane-3-carboxamide?
N-prop-2-enylthiane-3-carboxamide has a molecular weight of 185.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylthiane-3-carboxamide is sourced from PubChem (CID 110848141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).