(3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide

C12H21NO4S — CID 94174845

IUPAC(3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide
SMILESCCN(C[C@H]1CCOC1)C(=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO4S/c1-2-13(7-10-3-5-17-8-10)12(14)11-4-6-18(15,16)9-11/h10-11H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyRTKSMKCQFLHDRF-GHMZBOCLSA-N
MW275.37 g/mol
LogP0.31
Rot. Bonds4

About (3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide

(3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide (PubChem CID 94174845) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is (3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide
PubChem CID94174845
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name(3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide
SMILESCCN(C[C@H]1CCOC1)C(=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO4S/c1-2-13(7-10-3-5-17-8-10)12(14)11-4-6-18(15,16)9-11/h10-11H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyRTKSMKCQFLHDRF-GHMZBOCLSA-N
XLogP0.31
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 114995328
N-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide
CID 94174849
6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60950820
N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751
N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide
CID 64913364
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783
(3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide
CID 95294699
N,4-diethyl-N-(oxolan-3-ylmethyl)piperidine-2-carboxamide
CID 114428566
N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901310
N-(2-chloroethyl)-1,1-dioxo-N-propylthiolane-3-carboxamide
CID 64906671

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide (CID 94174845) is (3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide is CCN(C[C@H]1CCOC1)C(=O)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide?
The InChIKey is RTKSMKCQFLHDRF-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-2-13(7-10-3-5-17-8-10)12(14)11-4-6-18(15,16)9-11/h10-11H,2-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of (3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide?
(3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide has a molecular weight of 275.37 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide is sourced from PubChem (CID 94174845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).