3-(2,3-dimethylbut-3-enyl)-4-methyl-1,3-thiazinane

C11H21NS — CID 123516968

IUPAC3-(2,3-dimethylbut-3-enyl)-4-methyl-1,3-thiazinane
SMILESC=C(C)C(C)CN1CSCCC1C
InChIInChI=1S/C11H21NS/c1-9(2)10(3)7-12-8-13-6-5-11(12)4/h10-11H,1,5-8H2,2-4H3
InChIKeyAOHHOECWLVIWRI-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.98
Rot. Bonds3

About 3-(2,3-dimethylbut-3-enyl)-4-methyl-1,3-thiazinane

3-(2,3-dimethylbut-3-enyl)-4-methyl-1,3-thiazinane (PubChem CID 123516968) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 3-(2,3-dimethylbut-3-enyl)-4-methyl-1,3-thiazinane.

Molecular Properties

Compound Name3-(2,3-dimethylbut-3-enyl)-4-methyl-1,3-thiazinane
PubChem CID123516968
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name3-(2,3-dimethylbut-3-enyl)-4-methyl-1,3-thiazinane
SMILESC=C(C)C(C)CN1CSCCC1C
InChIInChI=1S/C11H21NS/c1-9(2)10(3)7-12-8-13-6-5-11(12)4/h10-11H,1,5-8H2,2-4H3
InChIKeyAOHHOECWLVIWRI-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-4-(3-methylbut-3-en-1-yl)thiomorpholine
CID 130735417
4-(3-Methylbut-3-enyl)thiomorpholine
CID 130611988
4-Methyl-2-prop-1-en-2-ylthiomorpholine
CID 155383433
N,3-dimethyl-N-(2-methylpropyl)-1-methylsulfanylbut-3-en-2-amine
CID 169607628
(2Z)-2-butan-2-ylidene-3-propan-2-yl-1,3-thiazinane
CID 173710676
2-Methyl-4-(3-methylbut-3-enyl)thiomorpholine
CID 130615014
4-But-3-en-2-yl-2-propan-2-ylthiomorpholine
CID 130651998
2,3-Dimethyl-4-(3-methylbut-3-enyl)thiomorpholine
CID 130684445
3,5-Dimethyl-4-(3-methylbut-3-enyl)thiomorpholine
CID 130694432
3,5-Dimethyl-4-(2-methylidenebutyl)thiomorpholine
CID 130734733
2,3-Dimethyl-4-(2-methylidenebutyl)thiomorpholine
CID 130747110
3-Methyl-4-(3-methylbut-3-enyl)thiomorpholine
CID 131106385

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbut-3-enyl)-4-methyl-1,3-thiazinane?
The IUPAC name of 3-(2,3-dimethylbut-3-enyl)-4-methyl-1,3-thiazinane (CID 123516968) is 3-(2,3-dimethylbut-3-enyl)-4-methyl-1,3-thiazinane.
What is the SMILES notation for 3-(2,3-dimethylbut-3-enyl)-4-methyl-1,3-thiazinane?
The canonical SMILES for 3-(2,3-dimethylbut-3-enyl)-4-methyl-1,3-thiazinane is C=C(C)C(C)CN1CSCCC1C.
What is the InChIKey of 3-(2,3-dimethylbut-3-enyl)-4-methyl-1,3-thiazinane?
The InChIKey is AOHHOECWLVIWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9(2)10(3)7-12-8-13-6-5-11(12)4/h10-11H,1,5-8H2,2-4H3.
What are the key properties of 3-(2,3-dimethylbut-3-enyl)-4-methyl-1,3-thiazinane?
3-(2,3-dimethylbut-3-enyl)-4-methyl-1,3-thiazinane has a molecular weight of 199.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbut-3-enyl)-4-methyl-1,3-thiazinane is sourced from PubChem (CID 123516968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).