(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide

C11H22N2O4S — CID 79024346

IUPAC(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide
SMILESCC[C@H](N)C(=O)N(CCOC)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O4S/c1-3-10(12)11(14)13(5-6-17-2)9-4-7-18(15,16)8-9/h9-10H,3-8,12H2,1-2H3/t9?,10-/m0/s1
InChIKeyDEPFXYFUVUAPHK-AXDSSHIGSA-N
MW278.37 g/mol
LogP-0.61
Rot. Bonds6

About (2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide

(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide (PubChem CID 79024346) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide
PubChem CID79024346
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide
SMILESCC[C@H](N)C(=O)N(CCOC)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O4S/c1-3-10(12)11(14)13(5-6-17-2)9-4-7-18(15,16)8-9/h9-10H,3-8,12H2,1-2H3/t9?,10-/m0/s1
InChIKeyDEPFXYFUVUAPHK-AXDSSHIGSA-N
XLogP-0.61
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide 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-cyclopropyl-N-(2-methoxyethyl)butanamide
CID 60947245
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 62727218
2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 61266603
2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)carbamate
CID 79346493
N-butan-2-yl-N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)oxamide
CID 108505466
(2S)-2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)pentanamide
CID 107568879
2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)hexanamide
CID 60940048
2-amino-N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-prop-2-ynylpropanamide
CID 81089343
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyethoxy)-N-(2-methoxyethyl)acetamide
CID 103606749
4-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992822
N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-methyloxamide
CID 108526153
N-tert-butyl-N'-(1,1-dioxothiolan-3-yl)-N-ethyl-N'-(2-methoxyethyl)oxamide
CID 108527290

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide (CID 79024346) is (2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide is CC[C@H](N)C(=O)N(CCOC)C1CCS(=O)(=O)C1.
What is the InChIKey of (2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide?
The InChIKey is DEPFXYFUVUAPHK-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-10(12)11(14)13(5-6-17-2)9-4-7-18(15,16)8-9/h9-10H,3-8,12H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide?
(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide has a molecular weight of 278.37 g/mol, XLogP of -0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 79024346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).