(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide

C11H22N2O3S2 — CID 104907675

IUPAC(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide
SMILESCCN(C(=O)[C@H](N)CCSC)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S2/c1-3-13(9-5-7-18(15,16)8-9)11(14)10(12)4-6-17-2/h9-10H,3-8,12H2,1-2H3/t9?,10-/m1/s1
InChIKeyUYQPSAUFZXMZDB-QVDQXJPCSA-N
MW294.44 g/mol
LogP0.10
Rot. Bonds6

About (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide

(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide (PubChem CID 104907675) has the molecular formula C11H22N2O3S2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide
PubChem CID104907675
Molecular FormulaC11H22N2O3S2
Molecular Weight294.44 g/mol
Exact Mass294.11
IUPAC Name(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide
SMILESCCN(C(=O)[C@H](N)CCSC)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S2/c1-3-13(9-5-7-18(15,16)8-9)11(14)10(12)4-6-17-2/h9-10H,3-8,12H2,1-2H3/t9?,10-/m1/s1
InChIKeyUYQPSAUFZXMZDB-QVDQXJPCSA-N
XLogP0.10
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbutanediamide
CID 60939371
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)hexanamide
CID 60940048
(2S)-2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)pentanamide
CID 107568879
(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide
CID 79024346
(2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
CID 104907782
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
3-amino-4-[butyl-(1,1-dioxothiolan-3-yl)amino]-4-oxobutanoic acid
CID 64895917
2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylsulfonyl-N-prop-2-ynylbutanamide
CID 60953594
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
(2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide
CID 104907039
ethyl 2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoacetate
CID 7732470

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide (CID 104907675) is (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide is CCN(C(=O)[C@H](N)CCSC)C1CCS(=O)(=O)C1.
What is the InChIKey of (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide?
The InChIKey is UYQPSAUFZXMZDB-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H22N2O3S2/c1-3-13(9-5-7-18(15,16)8-9)11(14)10(12)4-6-17-2/h9-10H,3-8,12H2,1-2H3/t9?,10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide has a molecular weight of 294.44 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 104907675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).