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

C8H15NO4S2 — CID 9373093

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)acetamide
SMILESO=C(CSCCO)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO4S2/c10-2-3-14-5-8(11)9-7-1-4-15(12,13)6-7/h7,10H,1-6H2,(H,9,11)/t7-/m0/s1
InChIKeyAJIPLEUQLYUQEQ-ZETCQYMHSA-N
MW253.34 g/mol
LogP-0.98
Rot. Bonds5

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

N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)acetamide (PubChem CID 9373093) has the molecular formula C8H15NO4S2 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)acetamide
PubChem CID9373093
Molecular FormulaC8H15NO4S2
Molecular Weight253.34 g/mol
Exact Mass253.04
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)acetamide
SMILESO=C(CSCCO)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO4S2/c10-2-3-14-5-8(11)9-7-1-4-15(12,13)6-7/h7,10H,1-6H2,(H,9,11)/t7-/m0/s1
InChIKeyAJIPLEUQLYUQEQ-ZETCQYMHSA-N
XLogP-0.98
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)acetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)acetamide (CID 9373093) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)acetamide is O=C(CSCCO)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)acetamide?
The InChIKey is AJIPLEUQLYUQEQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO4S2/c10-2-3-14-5-8(11)9-7-1-4-15(12,13)6-7/h7,10H,1-6H2,(H,9,11)/t7-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)acetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)acetamide has a molecular weight of 253.34 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)acetamide is sourced from PubChem (CID 9373093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).