(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide

C9H18N2O3S — CID 78973243

IUPAC(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
SMILESCCN(C(=O)[C@@H](C)N)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O3S/c1-3-11(9(12)7(2)10)8-4-5-15(13,14)6-8/h7-8H,3-6,10H2,1-2H3/t7-,8?/m1/s1
InChIKeyXCZLQXACHRMMSP-GVHYBUMESA-N
MW234.32 g/mol
LogP-0.63
Rot. Bonds3

About (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide

(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide (PubChem CID 78973243) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
PubChem CID78973243
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
SMILESCCN(C(=O)[C@@H](C)N)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O3S/c1-3-11(9(12)7(2)10)8-4-5-15(13,14)6-8/h7-8H,3-6,10H2,1-2H3/t7-,8?/m1/s1
InChIKeyXCZLQXACHRMMSP-GVHYBUMESA-N
XLogP-0.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-aminopropanoyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 61161627
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbutanediamide
CID 60939371
2-amino-N-cyclopropyl-N-ethylpropanamide
CID 43264257
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide
CID 104907675
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide
CID 86977043
2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide
CID 54869645
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
ethyl 2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoacetate
CID 7732470
2-(3-aminophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 106591044
(2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 66565875

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide?
The IUPAC name of (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide (CID 78973243) is (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide is CCN(C(=O)[C@@H](C)N)C1CCS(=O)(=O)C1.
What is the InChIKey of (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide?
The InChIKey is XCZLQXACHRMMSP-GVHYBUMESA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-3-11(9(12)7(2)10)8-4-5-15(13,14)6-8/h7-8H,3-6,10H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide?
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide has a molecular weight of 234.32 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide is sourced from PubChem (CID 78973243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).