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

C9H17NO4S2 — CID 9373104

IUPAC(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide
SMILESC[C@@H](SCCO)C(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO4S2/c1-7(15-4-3-11)9(12)10-8-2-5-16(13,14)6-8/h7-8,11H,2-6H2,1H3,(H,10,12)/t7-,8+/m1/s1
InChIKeyFCBBQWKJDNLTGY-SFYZADRCSA-N
MW267.37 g/mol
LogP-0.60
Rot. Bonds5

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

(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide (PubChem CID 9373104) has the molecular formula C9H17NO4S2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide
PubChem CID9373104
Molecular FormulaC9H17NO4S2
Molecular Weight267.37 g/mol
Exact Mass267.06
IUPAC Name(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide
SMILESC[C@@H](SCCO)C(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO4S2/c1-7(15-4-3-11)9(12)10-8-2-5-16(13,14)6-8/h7-8,11H,2-6H2,1H3,(H,10,12)/t7-,8+/m1/s1
InChIKeyFCBBQWKJDNLTGY-SFYZADRCSA-N
XLogP-0.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide?
The IUPAC name of (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide (CID 9373104) is (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide is C[C@@H](SCCO)C(=O)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide?
The InChIKey is FCBBQWKJDNLTGY-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO4S2/c1-7(15-4-3-11)9(12)10-8-2-5-16(13,14)6-8/h7-8,11H,2-6H2,1H3,(H,10,12)/t7-,8+/m1/s1.
What are the key properties of (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide?
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide has a molecular weight of 267.37 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide is sourced from PubChem (CID 9373104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).