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

C9H19NOS — CID 20612482

IUPAC4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide
SMILESCC(C)(C)CN1CCS(=O)CC1
InChIInChI=1S/C9H19NOS/c1-9(2,3)8-10-4-6-12(11)7-5-10/h4-8H2,1-3H3
InChIKeyGSHCTHAVMOLVRE-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.10
Rot. Bonds1

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

4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide (PubChem CID 20612482) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide
PubChem CID20612482
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide
SMILESCC(C)(C)CN1CCS(=O)CC1
InChIInChI=1S/C9H19NOS/c1-9(2,3)8-10-4-6-12(11)7-5-10/h4-8H2,1-3H3
InChIKeyGSHCTHAVMOLVRE-UHFFFAOYSA-N
XLogP1.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide (CID 20612482) is 4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide is CC(C)(C)CN1CCS(=O)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide?
The InChIKey is GSHCTHAVMOLVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-9(2,3)8-10-4-6-12(11)7-5-10/h4-8H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide?
4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide has a molecular weight of 189.32 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 20612482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).