(3R)-1,1-dioxo-N-(2-phenylethyl)thiolane-3-carboxamide

C13H17NO3S — CID 39995805

IUPAC(3R)-1,1-dioxo-N-(2-phenylethyl)thiolane-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H17NO3S/c15-13(12-7-9-18(16,17)10-12)14-8-6-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,14,15)/t12-/m0/s1
InChIKeyFHIALTPBWOPQHZ-LBPRGKRZSA-N
MW267.35 g/mol
LogP0.78
Rot. Bonds4

About (3R)-1,1-dioxo-N-(2-phenylethyl)thiolane-3-carboxamide

(3R)-1,1-dioxo-N-(2-phenylethyl)thiolane-3-carboxamide (PubChem CID 39995805) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is (3R)-1,1-dioxo-N-(2-phenylethyl)thiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-1,1-dioxo-N-(2-phenylethyl)thiolane-3-carboxamide
PubChem CID39995805
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name(3R)-1,1-dioxo-N-(2-phenylethyl)thiolane-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H17NO3S/c15-13(12-7-9-18(16,17)10-12)14-8-6-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,14,15)/t12-/m0/s1
InChIKeyFHIALTPBWOPQHZ-LBPRGKRZSA-N
XLogP0.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-dioxo-N-(2-phenylethyl)thiolane-3-carboxamide?
The IUPAC name of (3R)-1,1-dioxo-N-(2-phenylethyl)thiolane-3-carboxamide (CID 39995805) is (3R)-1,1-dioxo-N-(2-phenylethyl)thiolane-3-carboxamide.
What is the SMILES notation for (3R)-1,1-dioxo-N-(2-phenylethyl)thiolane-3-carboxamide?
The canonical SMILES for (3R)-1,1-dioxo-N-(2-phenylethyl)thiolane-3-carboxamide is O=C(NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-1,1-dioxo-N-(2-phenylethyl)thiolane-3-carboxamide?
The InChIKey is FHIALTPBWOPQHZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-13(12-7-9-18(16,17)10-12)14-8-6-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,14,15)/t12-/m0/s1.
What are the key properties of (3R)-1,1-dioxo-N-(2-phenylethyl)thiolane-3-carboxamide?
(3R)-1,1-dioxo-N-(2-phenylethyl)thiolane-3-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1-dioxo-N-(2-phenylethyl)thiolane-3-carboxamide is sourced from PubChem (CID 39995805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).