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

C8H16N2O3S — CID 78971907

IUPAC(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
SMILESC[C@@H](N)C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H16N2O3S/c1-6(9)8(11)10(2)7-3-4-14(12,13)5-7/h6-7H,3-5,9H2,1-2H3/t6-,7?/m1/s1
InChIKeyWMFXQTPDGQKCIF-ULUSZKPHSA-N
MW220.29 g/mol
LogP-1.02
Rot. Bonds2

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

(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide (PubChem CID 78971907) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
PubChem CID78971907
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
SMILESC[C@@H](N)C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H16N2O3S/c1-6(9)8(11)10(2)7-3-4-14(12,13)5-7/h6-7H,3-5,9H2,1-2H3/t6-,7?/m1/s1
InChIKeyWMFXQTPDGQKCIF-ULUSZKPHSA-N
XLogP-1.02
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 76893547
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide
CID 43648743
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride
CID 119670187
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
2-[2-aminopropanoyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 61161627
N-(1,1-dioxothiolan-3-yl)-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76925217
3-cyano-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide
CID 82118099
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcarbamothioate
CID 7059128
2-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666510

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The IUPAC name of (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide (CID 78971907) is (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide is C[C@@H](N)C(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The InChIKey is WMFXQTPDGQKCIF-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-6(9)8(11)10(2)7-3-4-14(12,13)5-7/h6-7H,3-5,9H2,1-2H3/t6-,7?/m1/s1.
What are the key properties of (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide has a molecular weight of 220.29 g/mol, XLogP of -1.02, 2 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-methylpropanamide is sourced from PubChem (CID 78971907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).