2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide

C10H19NOS — CID 130683745

IUPAC2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide
SMILESC=C(C)CN1CCS(=O)C(C)(C)C1
InChIInChI=1S/C10H19NOS/c1-9(2)7-11-5-6-13(12)10(3,4)8-11/h1,5-8H2,2-4H3
InChIKeyIJEVRDWFPPNZTE-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.41
Rot. Bonds2

About 2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide

2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide (PubChem CID 130683745) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide
PubChem CID130683745
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide
SMILESC=C(C)CN1CCS(=O)C(C)(C)C1
InChIInChI=1S/C10H19NOS/c1-9(2)7-11-5-6-13(12)10(3,4)8-11/h1,5-8H2,2-4H3
InChIKeyIJEVRDWFPPNZTE-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide (CID 130683745) is 2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide is C=C(C)CN1CCS(=O)C(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide?
The InChIKey is IJEVRDWFPPNZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-9(2)7-11-5-6-13(12)10(3,4)8-11/h1,5-8H2,2-4H3.
What are the key properties of 2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide?
2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide has a molecular weight of 201.33 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 130683745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).