N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide

C12H15NO3S — CID 40569648

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H15NO3S/c14-12(8-10-4-2-1-3-5-10)13-11-6-7-17(15,16)9-11/h1-5,11H,6-9H2,(H,13,14)/t11-/m0/s1
InChIKeyIIAOMJPEQNIIDO-NSHDSACASA-N
MW253.32 g/mol
LogP0.53
Rot. Bonds3

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide (PubChem CID 40569648) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
PubChem CID40569648
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H15NO3S/c14-12(8-10-4-2-1-3-5-10)13-11-6-7-17(15,16)9-11/h1-5,11H,6-9H2,(H,13,14)/t11-/m0/s1
InChIKeyIIAOMJPEQNIIDO-NSHDSACASA-N
XLogP0.53
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide
CID 3805798
2-benzylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4026635
2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51140167
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
CID 51240347
2-(4-benzylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30726667
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703857
N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 27710322
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
CID 17013970
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 6601801
N-(1,1-dioxothiolan-3-yl)-3-phenylsulfanylpropanamide
CID 51073754
N-(1,1-dioxothiolan-3-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771301
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-phenylmethoxyacetyl)amino]acetamide
CID 94811329

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide (CID 40569648) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide?
The InChIKey is IIAOMJPEQNIIDO-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO3S/c14-12(8-10-4-2-1-3-5-10)13-11-6-7-17(15,16)9-11/h1-5,11H,6-9H2,(H,13,14)/t11-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide has a molecular weight of 253.32 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide is sourced from PubChem (CID 40569648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).