(1S)-4-(2,2-dimethoxyethyl)-2,2-dimethyl-1,4-thiazinane 1-oxide

C10H21NO3S — CID 99640580

IUPAC(1S)-4-(2,2-dimethoxyethyl)-2,2-dimethyl-1,4-thiazinane 1-oxide
SMILESCOC(CN1CC[S@](=O)C(C)(C)C1)OC
InChIInChI=1S/C10H21NO3S/c1-10(2)8-11(5-6-15(10)12)7-9(13-3)14-4/h9H,5-8H2,1-4H3/t15-/m0/s1
InChIKeyCMFVSMLPXSCQHD-HNNXBMFYSA-N
MW235.35 g/mol
LogP0.45
Rot. Bonds4

About (1S)-4-(2,2-dimethoxyethyl)-2,2-dimethyl-1,4-thiazinane 1-oxide

(1S)-4-(2,2-dimethoxyethyl)-2,2-dimethyl-1,4-thiazinane 1-oxide (PubChem CID 99640580) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is (1S)-4-(2,2-dimethoxyethyl)-2,2-dimethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name(1S)-4-(2,2-dimethoxyethyl)-2,2-dimethyl-1,4-thiazinane 1-oxide
PubChem CID99640580
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name(1S)-4-(2,2-dimethoxyethyl)-2,2-dimethyl-1,4-thiazinane 1-oxide
SMILESCOC(CN1CC[S@](=O)C(C)(C)C1)OC
InChIInChI=1S/C10H21NO3S/c1-10(2)8-11(5-6-15(10)12)7-9(13-3)14-4/h9H,5-8H2,1-4H3/t15-/m0/s1
InChIKeyCMFVSMLPXSCQHD-HNNXBMFYSA-N
XLogP0.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-(2,2-dimethoxyethyl)-2,2-dimethyl-1,4-thiazinane 1-oxide?
The IUPAC name of (1S)-4-(2,2-dimethoxyethyl)-2,2-dimethyl-1,4-thiazinane 1-oxide (CID 99640580) is (1S)-4-(2,2-dimethoxyethyl)-2,2-dimethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for (1S)-4-(2,2-dimethoxyethyl)-2,2-dimethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for (1S)-4-(2,2-dimethoxyethyl)-2,2-dimethyl-1,4-thiazinane 1-oxide is COC(CN1CC[S@](=O)C(C)(C)C1)OC.
What is the InChIKey of (1S)-4-(2,2-dimethoxyethyl)-2,2-dimethyl-1,4-thiazinane 1-oxide?
The InChIKey is CMFVSMLPXSCQHD-HNNXBMFYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2)8-11(5-6-15(10)12)7-9(13-3)14-4/h9H,5-8H2,1-4H3/t15-/m0/s1.
What are the key properties of (1S)-4-(2,2-dimethoxyethyl)-2,2-dimethyl-1,4-thiazinane 1-oxide?
(1S)-4-(2,2-dimethoxyethyl)-2,2-dimethyl-1,4-thiazinane 1-oxide has a molecular weight of 235.35 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(2,2-dimethoxyethyl)-2,2-dimethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 99640580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).