[(3S,4R)-4-acetamido-1,1-dioxothiolan-3-yl]azanium

C6H13N2O3S+ — CID 7226882

IUPAC[(3S,4R)-4-acetamido-1,1-dioxothiolan-3-yl]azanium
SMILESCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1[NH3+]
InChIInChI=1S/C6H12N2O3S/c1-4(9)8-6-3-12(10,11)2-5(6)7/h5-6H,2-3,7H2,1H3,(H,8,9)/p+1/t5-,6+/m1/s1
InChIKeyPYCIQDKQSSQWKD-RITPCOANSA-O
MW193.25 g/mol
LogP-2.47
Rot. Bonds1

About [(3S,4R)-4-acetamido-1,1-dioxothiolan-3-yl]azanium

[(3S,4R)-4-acetamido-1,1-dioxothiolan-3-yl]azanium (PubChem CID 7226882) has the molecular formula C6H13N2O3S+ and a molecular weight of 193.25 g/mol. Its IUPAC name is [(3S,4R)-4-acetamido-1,1-dioxothiolan-3-yl]azanium.

Molecular Properties

Compound Name[(3S,4R)-4-acetamido-1,1-dioxothiolan-3-yl]azanium
PubChem CID7226882
Molecular FormulaC6H13N2O3S+
Molecular Weight193.25 g/mol
Exact Mass193.06
IUPAC Name[(3S,4R)-4-acetamido-1,1-dioxothiolan-3-yl]azanium
SMILESCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1[NH3+]
InChIInChI=1S/C6H12N2O3S/c1-4(9)8-6-3-12(10,11)2-5(6)7/h5-6H,2-3,7H2,1H3,(H,8,9)/p+1/t5-,6+/m1/s1
InChIKeyPYCIQDKQSSQWKD-RITPCOANSA-O
XLogP-2.47
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-2.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4S)-4-azaniumyl-1,1-dioxothiolan-3-yl]azanium dichloride
CID 21206173
N-(1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)acetamide
CID 87303443
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858
N-(5-acetamido-2-bicyclo[2.2.1]heptanyl)acetamide
CID 67204731
ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate
CID 100825852
methyl 2-acetamidocyclobutane-1-carboxylate
CID 163622472
N-(4-aminooxolan-3-yl)acetamide
CID 130680289
N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
CID 21439703
N-(1,1-dioxo-2-propan-2-ylthiolan-3-yl)acetamide
CID 54394311
N-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]propanamide
CID 41009565
2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid
CID 178194580
(2S)-3-acetamido-2-methylazetidine-1-carboxylic acid
CID 175481977

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-acetamido-1,1-dioxothiolan-3-yl]azanium?
The IUPAC name of [(3S,4R)-4-acetamido-1,1-dioxothiolan-3-yl]azanium (CID 7226882) is [(3S,4R)-4-acetamido-1,1-dioxothiolan-3-yl]azanium.
What is the SMILES notation for [(3S,4R)-4-acetamido-1,1-dioxothiolan-3-yl]azanium?
The canonical SMILES for [(3S,4R)-4-acetamido-1,1-dioxothiolan-3-yl]azanium is CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1[NH3+].
What is the InChIKey of [(3S,4R)-4-acetamido-1,1-dioxothiolan-3-yl]azanium?
The InChIKey is PYCIQDKQSSQWKD-RITPCOANSA-O. The full InChI is InChI=1S/C6H12N2O3S/c1-4(9)8-6-3-12(10,11)2-5(6)7/h5-6H,2-3,7H2,1H3,(H,8,9)/p+1/t5-,6+/m1/s1.
What are the key properties of [(3S,4R)-4-acetamido-1,1-dioxothiolan-3-yl]azanium?
[(3S,4R)-4-acetamido-1,1-dioxothiolan-3-yl]azanium has a molecular weight of 193.25 g/mol, XLogP of -2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-acetamido-1,1-dioxothiolan-3-yl]azanium is sourced from PubChem (CID 7226882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).