4-(2,2-dimethylpropyl)-1-methylidene-1,4-thiazinane

C10H21NS — CID 20612390

IUPAC4-(2,2-dimethylpropyl)-1-methylidene-1,4-thiazinane
SMILESC=S1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C10H21NS/c1-10(2,3)9-11-5-7-12(4)8-6-11/h4-9H2,1-3H3
InChIKeyFYIQURNGSZZUBX-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.05
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-1-methylidene-1,4-thiazinane

4-(2,2-dimethylpropyl)-1-methylidene-1,4-thiazinane (PubChem CID 20612390) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-methylidene-1,4-thiazinane.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-methylidene-1,4-thiazinane
PubChem CID20612390
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4-(2,2-dimethylpropyl)-1-methylidene-1,4-thiazinane
SMILESC=S1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C10H21NS/c1-10(2,3)9-11-5-7-12(4)8-6-11/h4-9H2,1-3H3
InChIKeyFYIQURNGSZZUBX-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1-methylidene-1,4-thiazinane?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-methylidene-1,4-thiazinane (CID 20612390) is 4-(2,2-dimethylpropyl)-1-methylidene-1,4-thiazinane.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-methylidene-1,4-thiazinane?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-methylidene-1,4-thiazinane is C=S1CCN(CC(C)(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-methylidene-1,4-thiazinane?
The InChIKey is FYIQURNGSZZUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-10(2,3)9-11-5-7-12(4)8-6-11/h4-9H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1-methylidene-1,4-thiazinane?
4-(2,2-dimethylpropyl)-1-methylidene-1,4-thiazinane has a molecular weight of 187.35 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-methylidene-1,4-thiazinane is sourced from PubChem (CID 20612390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).