4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazinane

C9H17NS — CID 123339090

IUPAC4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazinane
SMILESC=C1SCCC(C)N1C(C)C
InChIInChI=1S/C9H17NS/c1-7(2)10-8(3)5-6-11-9(10)4/h7-8H,4-6H2,1-3H3
InChIKeyVFZXHXLHENDJAS-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.69
Rot. Bonds1

About 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazinane

4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazinane (PubChem CID 123339090) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazinane.

Molecular Properties

Compound Name4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazinane
PubChem CID123339090
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazinane
SMILESC=C1SCCC(C)N1C(C)C
InChIInChI=1S/C9H17NS/c1-7(2)10-8(3)5-6-11-9(10)4/h7-8H,4-6H2,1-3H3
InChIKeyVFZXHXLHENDJAS-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-2-methylidene-1,3-thiazinane
CID 20747213
3-Methyl-2-methylidene-1,3-thiazinane
CID 59164986
3,4-Diethylthiomorpholine
CID 89381146
3-Ethyl-4,5-dimethylthiomorpholine
CID 117807968
2,3,5,6-Tetramethyl-4-propan-2-ylthiomorpholine
CID 118243087
4-Ethyl-2,3-dimethylthiomorpholine
CID 118591782
N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine
CID 123347597
3,4-Dimethyl-1,3-thiazinane;ethane
CID 142151830
Ethane;3-methyl-4-propylthiomorpholine
CID 143432613
3-Ethyl-5-methyl-4-propan-2-ylthiomorpholine
CID 146188764
3-Ethyl-1,1-dimethyl-4-propan-2-yl-1,4-thiazinane
CID 156572943
1,1-Dimethyl-3-propan-2-yl-1,3-thiazinane
CID 166981611

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazinane?
The IUPAC name of 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazinane (CID 123339090) is 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazinane.
What is the SMILES notation for 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazinane?
The canonical SMILES for 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazinane is C=C1SCCC(C)N1C(C)C.
What is the InChIKey of 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazinane?
The InChIKey is VFZXHXLHENDJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-7(2)10-8(3)5-6-11-9(10)4/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazinane?
4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazinane has a molecular weight of 171.31 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazinane is sourced from PubChem (CID 123339090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).