3-methyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide

C9H17NOS — CID 130657459

IUPAC3-methyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide
SMILESC=C(C)CN1CCS(=O)CC1C
InChIInChI=1S/C9H17NOS/c1-8(2)6-10-4-5-12(11)7-9(10)3/h9H,1,4-7H2,2-3H3
InChIKeyGPWFAAKLIFWVIV-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.02
Rot. Bonds2

About 3-methyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide

3-methyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide (PubChem CID 130657459) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 3-methyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-methyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide
PubChem CID130657459
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name3-methyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide
SMILESC=C(C)CN1CCS(=O)CC1C
InChIInChI=1S/C9H17NOS/c1-8(2)6-10-4-5-12(11)7-9(10)3/h9H,1,4-7H2,2-3H3
InChIKeyGPWFAAKLIFWVIV-UHFFFAOYSA-N
XLogP1.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.02
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 3-methyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 3-methyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide (CID 130657459) is 3-methyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-methyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-methyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide is C=C(C)CN1CCS(=O)CC1C.
What is the InChIKey of 3-methyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide?
The InChIKey is GPWFAAKLIFWVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-8(2)6-10-4-5-12(11)7-9(10)3/h9H,1,4-7H2,2-3H3.
What are the key properties of 3-methyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide?
3-methyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide has a molecular weight of 187.31 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 130657459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).