(3S)-3-methyl-1,4-thiazinane 1,1-dioxide

C5H11NO2S — CID 91666861

IUPAC(3S)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESC[C@H]1CS(=O)(=O)CCN1
InChIInChI=1S/C5H11NO2S/c1-5-4-9(7,8)3-2-6-5/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKeyQLCHHQQTWDDARM-YFKPBYRVSA-N
MW149.21 g/mol
LogP-0.61
Rot. Bonds

About (3S)-3-methyl-1,4-thiazinane 1,1-dioxide

(3S)-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 91666861) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is (3S)-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID91666861
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name(3S)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESC[C@H]1CS(=O)(=O)CCN1
InChIInChI=1S/C5H11NO2S/c1-5-4-9(7,8)3-2-6-5/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKeyQLCHHQQTWDDARM-YFKPBYRVSA-N
XLogP-0.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of (3S)-3-methyl-1,4-thiazinane 1,1-dioxide (CID 91666861) is (3S)-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for (3S)-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for (3S)-3-methyl-1,4-thiazinane 1,1-dioxide is C[C@H]1CS(=O)(=O)CCN1.
What is the InChIKey of (3S)-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is QLCHHQQTWDDARM-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-5-4-9(7,8)3-2-6-5/h5-6H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-3-methyl-1,4-thiazinane 1,1-dioxide?
(3S)-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 149.21 g/mol, XLogP of -0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 91666861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).