2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide

C10H16N2O3S — CID 94187187

IUPAC2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H16N2O3S/c1-3-5-11-10(13)7-12(2)9-4-6-16(14,15)8-9/h1,9H,4-8H2,2H3,(H,11,13)/t9-/m1/s1
InChIKeySAXAPNBMXWSZQQ-SECBINFHSA-N
MW244.32 g/mol
LogP-1.15
Rot. Bonds4

About 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide

2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide (PubChem CID 94187187) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide
PubChem CID94187187
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H16N2O3S/c1-3-5-11-10(13)7-12(2)9-4-6-16(14,15)8-9/h1,9H,4-8H2,2H3,(H,11,13)/t9-/m1/s1
InChIKeySAXAPNBMXWSZQQ-SECBINFHSA-N
XLogP-1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-pyrrol-1-ylethyl)acetamide
CID 118795526
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793246
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 51182965
N-[2-(3,5-dichlorophenyl)ethyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 52512350
N-[2-(3,5-dichlorophenyl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 51127064
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 125171057
N-(3,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 29112590
N-(3,5-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 42917926
1-(azepan-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 109001842
N-(2,3-dichlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 18191468
3-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 18801610
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 86830047

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide (CID 94187187) is 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide is C#CCNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide?
The InChIKey is SAXAPNBMXWSZQQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-5-11-10(13)7-12(2)9-4-6-16(14,15)8-9/h1,9H,4-8H2,2H3,(H,11,13)/t9-/m1/s1.
What are the key properties of 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide?
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide has a molecular weight of 244.32 g/mol, XLogP of -1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 94187187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).