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

C5H11NOS — CID 55287544

IUPAC(3S)-3-methyl-1,4-thiazinane 1-oxide
SMILESC[C@H]1CS(=O)CCN1
InChIInChI=1S/C5H11NOS/c1-5-4-8(7)3-2-6-5/h5-6H,2-4H2,1H3/t5-,8?/m0/s1
InChIKeyMPRSVGXQKWSDMM-NTFOPCPOSA-N
MW133.22 g/mol
LogP-0.27
Rot. Bonds

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

(3S)-3-methyl-1,4-thiazinane 1-oxide (PubChem CID 55287544) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is (3S)-3-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name(3S)-3-methyl-1,4-thiazinane 1-oxide
PubChem CID55287544
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name(3S)-3-methyl-1,4-thiazinane 1-oxide
SMILESC[C@H]1CS(=O)CCN1
InChIInChI=1S/C5H11NOS/c1-5-4-8(7)3-2-6-5/h5-6H,2-4H2,1H3/t5-,8?/m0/s1
InChIKeyMPRSVGXQKWSDMM-NTFOPCPOSA-N
XLogP-0.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of (3S)-3-methyl-1,4-thiazinane 1-oxide (CID 55287544) is (3S)-3-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for (3S)-3-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for (3S)-3-methyl-1,4-thiazinane 1-oxide is C[C@H]1CS(=O)CCN1.
What is the InChIKey of (3S)-3-methyl-1,4-thiazinane 1-oxide?
The InChIKey is MPRSVGXQKWSDMM-NTFOPCPOSA-N. The full InChI is InChI=1S/C5H11NOS/c1-5-4-8(7)3-2-6-5/h5-6H,2-4H2,1H3/t5-,8?/m0/s1.
What are the key properties of (3S)-3-methyl-1,4-thiazinane 1-oxide?
(3S)-3-methyl-1,4-thiazinane 1-oxide has a molecular weight of 133.22 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 55287544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).