N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide

C10H15NO3S — CID 63374585

IUPACN-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide
SMILESC#CCN(C(=O)CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15NO3S/c1-3-6-11(10(12)4-2)9-5-7-15(13,14)8-9/h1,9H,4-8H2,2H3
InChIKeyAEUIGTOMORYLBF-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.05
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide

N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide (PubChem CID 63374585) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide
PubChem CID63374585
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide
SMILESC#CCN(C(=O)CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15NO3S/c1-3-6-11(10(12)4-2)9-5-7-15(13,14)8-9/h1,9H,4-8H2,2H3
InChIKeyAEUIGTOMORYLBF-UHFFFAOYSA-N
XLogP0.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-oxo-N-prop-2-ynylbutanamide
CID 54876509
2-[2-[(1,1-dioxothiolan-3-yl)-prop-2-ynylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569635
2-amino-N-(1,1-dioxothiolan-3-yl)-2-ethyl-N-prop-2-ynylbutanamide
CID 79814903
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
CID 60743082
N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylprop-2-enamide
CID 60948987
N-(1,1-dioxothiolan-3-yl)-4-(propan-2-ylamino)-N-prop-2-ynylbutanamide
CID 60952665
N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide
CID 99975558
2-[(1,1-dioxothiolan-3-yl)-prop-2-ynylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978465
2-amino-N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-prop-2-ynylpropanamide
CID 81089343
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 79388218
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide
CID 63131860

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide (CID 63374585) is N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide is C#CCN(C(=O)CC)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide?
The InChIKey is AEUIGTOMORYLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-3-6-11(10(12)4-2)9-5-7-15(13,14)8-9/h1,9H,4-8H2,2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide?
N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide has a molecular weight of 229.30 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 63374585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).