4-(2-methylbutan-2-yl)-1,4-thiazinane 1-oxide

C9H19NOS — CID 70270123

IUPAC4-(2-methylbutan-2-yl)-1,4-thiazinane 1-oxide
SMILESCCC(C)(C)N1CCS(=O)CC1
InChIInChI=1S/C9H19NOS/c1-4-9(2,3)10-5-7-12(11)8-6-10/h4-8H2,1-3H3
InChIKeyPJYZVQUHQUZDBD-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.24
Rot. Bonds2

About 4-(2-methylbutan-2-yl)-1,4-thiazinane 1-oxide

4-(2-methylbutan-2-yl)-1,4-thiazinane 1-oxide (PubChem CID 70270123) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-1,4-thiazinane 1-oxide
PubChem CID70270123
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name4-(2-methylbutan-2-yl)-1,4-thiazinane 1-oxide
SMILESCCC(C)(C)N1CCS(=O)CC1
InChIInChI=1S/C9H19NOS/c1-4-9(2,3)10-5-7-12(11)8-6-10/h4-8H2,1-3H3
InChIKeyPJYZVQUHQUZDBD-UHFFFAOYSA-N
XLogP1.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(2-methylbutan-2-yl)-1,4-thiazinane 1-oxide (CID 70270123) is 4-(2-methylbutan-2-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(2-methylbutan-2-yl)-1,4-thiazinane 1-oxide is CCC(C)(C)N1CCS(=O)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-1,4-thiazinane 1-oxide?
The InChIKey is PJYZVQUHQUZDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-4-9(2,3)10-5-7-12(11)8-6-10/h4-8H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-1,4-thiazinane 1-oxide?
4-(2-methylbutan-2-yl)-1,4-thiazinane 1-oxide has a molecular weight of 189.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 70270123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).