4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide

C11H21NOS — CID 58459890

IUPAC4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide
SMILESC=C(CCC(C)C)N1CCS(=O)CC1
InChIInChI=1S/C11H21NOS/c1-10(2)4-5-11(3)12-6-8-14(13)9-7-12/h10H,3-9H2,1-2H3
InChIKeyITWVGIJYUOMMHO-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.00
Rot. Bonds4

About 4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide

4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide (PubChem CID 58459890) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide
PubChem CID58459890
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide
SMILESC=C(CCC(C)C)N1CCS(=O)CC1
InChIInChI=1S/C11H21NOS/c1-10(2)4-5-11(3)12-6-8-14(13)9-7-12/h10H,3-9H2,1-2H3
InChIKeyITWVGIJYUOMMHO-UHFFFAOYSA-N
XLogP2.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide (CID 58459890) is 4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide is C=C(CCC(C)C)N1CCS(=O)CC1.
What is the InChIKey of 4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide?
The InChIKey is ITWVGIJYUOMMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-10(2)4-5-11(3)12-6-8-14(13)9-7-12/h10H,3-9H2,1-2H3.
What are the key properties of 4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide?
4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide has a molecular weight of 215.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 58459890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).