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

C6H14NO2S+ — CID 7039214

IUPACmethyl-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium
SMILESC[NH2+][C@]1(C)CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c1-6(7-2)3-4-10(8,9)5-6/h7H,3-5H2,1-2H3/p+1/t6-/m1/s1
InChIKeyBCKXDHUGBHITAS-ZCFIWIBFSA-O
MW164.25 g/mol
LogP-1.24
Rot. Bonds1

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

methyl-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium (PubChem CID 7039214) has the molecular formula C6H14NO2S+ and a molecular weight of 164.25 g/mol. Its IUPAC name is methyl-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium.

Molecular Properties

Compound Namemethyl-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium
PubChem CID7039214
Molecular FormulaC6H14NO2S+
Molecular Weight164.25 g/mol
Exact Mass164.07
IUPAC Namemethyl-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium
SMILESC[NH2+][C@]1(C)CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c1-6(7-2)3-4-10(8,9)5-6/h7H,3-5H2,1-2H3/p+1/t6-/m1/s1
InChIKeyBCKXDHUGBHITAS-ZCFIWIBFSA-O
XLogP-1.24
TPSA50.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium?
The IUPAC name of methyl-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium (CID 7039214) is methyl-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium.
What is the SMILES notation for methyl-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium?
The canonical SMILES for methyl-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium is C[NH2+][C@]1(C)CCS(=O)(=O)C1.
What is the InChIKey of methyl-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium?
The InChIKey is BCKXDHUGBHITAS-ZCFIWIBFSA-O. The full InChI is InChI=1S/C6H13NO2S/c1-6(7-2)3-4-10(8,9)5-6/h7H,3-5H2,1-2H3/p+1/t6-/m1/s1.
What are the key properties of methyl-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium?
methyl-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium has a molecular weight of 164.25 g/mol, XLogP of -1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium is sourced from PubChem (CID 7039214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).