2-(2-methylpropyl)-4-propan-2-yl-1,4-thiazinane 1-oxide

C11H23NOS — CID 130420800

IUPAC2-(2-methylpropyl)-4-propan-2-yl-1,4-thiazinane 1-oxide
SMILESCC(C)CC1CN(C(C)C)CCS1=O
InChIInChI=1S/C11H23NOS/c1-9(2)7-11-8-12(10(3)4)5-6-14(11)13/h9-11H,5-8H2,1-4H3
InChIKeyGGDUSDSFJQGLJY-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.87
Rot. Bonds3

About 2-(2-methylpropyl)-4-propan-2-yl-1,4-thiazinane 1-oxide

2-(2-methylpropyl)-4-propan-2-yl-1,4-thiazinane 1-oxide (PubChem CID 130420800) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4-propan-2-yl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-propan-2-yl-1,4-thiazinane 1-oxide
PubChem CID130420800
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-(2-methylpropyl)-4-propan-2-yl-1,4-thiazinane 1-oxide
SMILESCC(C)CC1CN(C(C)C)CCS1=O
InChIInChI=1S/C11H23NOS/c1-9(2)7-11-8-12(10(3)4)5-6-14(11)13/h9-11H,5-8H2,1-4H3
InChIKeyGGDUSDSFJQGLJY-UHFFFAOYSA-N
XLogP1.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4-propan-2-yl-1,4-thiazinane 1-oxide?
The IUPAC name of 2-(2-methylpropyl)-4-propan-2-yl-1,4-thiazinane 1-oxide (CID 130420800) is 2-(2-methylpropyl)-4-propan-2-yl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2-(2-methylpropyl)-4-propan-2-yl-1,4-thiazinane 1-oxide?
The canonical SMILES for 2-(2-methylpropyl)-4-propan-2-yl-1,4-thiazinane 1-oxide is CC(C)CC1CN(C(C)C)CCS1=O.
What is the InChIKey of 2-(2-methylpropyl)-4-propan-2-yl-1,4-thiazinane 1-oxide?
The InChIKey is GGDUSDSFJQGLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-9(2)7-11-8-12(10(3)4)5-6-14(11)13/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-(2-methylpropyl)-4-propan-2-yl-1,4-thiazinane 1-oxide?
2-(2-methylpropyl)-4-propan-2-yl-1,4-thiazinane 1-oxide has a molecular weight of 217.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4-propan-2-yl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 130420800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).