[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium

C5H12NO2S+ — CID 7059068

IUPAC[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium
SMILESC[C@@]1([NH3+])CCS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S/c1-5(6)2-3-9(7,8)4-5/h2-4,6H2,1H3/p+1/t5-/m1/s1
InChIKeyQDUADYISMMMVLN-RXMQYKEDSA-O
MW150.22 g/mol
LogP-1.19
Rot. Bonds

About [(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium

[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium (PubChem CID 7059068) has the molecular formula C5H12NO2S+ and a molecular weight of 150.22 g/mol. Its IUPAC name is [(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium.

Molecular Properties

Compound Name[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium
PubChem CID7059068
Molecular FormulaC5H12NO2S+
Molecular Weight150.22 g/mol
Exact Mass150.06
IUPAC Name[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium
SMILESC[C@@]1([NH3+])CCS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S/c1-5(6)2-3-9(7,8)4-5/h2-4,6H2,1H3/p+1/t5-/m1/s1
InChIKeyQDUADYISMMMVLN-RXMQYKEDSA-O
XLogP-1.19
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methyl-1,1-dioxothiolan-3-ol
CID 95023797
N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
CID 18559021
3-ethenyl-3-methylthiolane 1,1-dioxide
CID 162359414
4-methyl-1,1-dioxothian-4-ol
CID 58387715
4-methyl-1,1-dioxothian-4-amine
CID 58641892
(3S)-3-isocyanato-3-methylthiolane 1,1-dioxide
CID 7059090
2-azaniumylethyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium dichloride
CID 102567058
3-ethyl-1,1-dioxothiolan-3-ol
CID 63162812
2,2-dimethyl-6,6-dioxo-6λ6-thiaspiro[2.4]heptane-1-carboxylic acid
CID 130488379
N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7452402
2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7059103
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]carbamodithioic acid
CID 7058895

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium?
The IUPAC name of [(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium (CID 7059068) is [(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium.
What is the SMILES notation for [(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium?
The canonical SMILES for [(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium is C[C@@]1([NH3+])CCS(=O)(=O)C1.
What is the InChIKey of [(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium?
The InChIKey is QDUADYISMMMVLN-RXMQYKEDSA-O. The full InChI is InChI=1S/C5H11NO2S/c1-5(6)2-3-9(7,8)4-5/h2-4,6H2,1H3/p+1/t5-/m1/s1.
What are the key properties of [(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium?
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium has a molecular weight of 150.22 g/mol, XLogP of -1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium is sourced from PubChem (CID 7059068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).