3-ethyl-1,1-dimethyl-4-propan-2-yl-1,4-thiazinane

C11H25NS — CID 156572943

IUPAC3-ethyl-1,1-dimethyl-4-propan-2-yl-1,4-thiazinane
SMILESCCC1CS(C)(C)CCN1C(C)C
InChIInChI=1S/C11H25NS/c1-6-11-9-13(4,5)8-7-12(11)10(2)3/h10-11H,6-9H2,1-5H3
InChIKeySOIYAHRVIMHWNG-UHFFFAOYSA-N
MW203.39 g/mol
LogP2.55
Rot. Bonds2

About 3-ethyl-1,1-dimethyl-4-propan-2-yl-1,4-thiazinane

3-ethyl-1,1-dimethyl-4-propan-2-yl-1,4-thiazinane (PubChem CID 156572943) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is 3-ethyl-1,1-dimethyl-4-propan-2-yl-1,4-thiazinane.

Molecular Properties

Compound Name3-ethyl-1,1-dimethyl-4-propan-2-yl-1,4-thiazinane
PubChem CID156572943
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name3-ethyl-1,1-dimethyl-4-propan-2-yl-1,4-thiazinane
SMILESCCC1CS(C)(C)CCN1C(C)C
InChIInChI=1S/C11H25NS/c1-6-11-9-13(4,5)8-7-12(11)10(2)3/h10-11H,6-9H2,1-5H3
InChIKeySOIYAHRVIMHWNG-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1-dimethyl-4-propan-2-yl-1,4-thiazinane?
The IUPAC name of 3-ethyl-1,1-dimethyl-4-propan-2-yl-1,4-thiazinane (CID 156572943) is 3-ethyl-1,1-dimethyl-4-propan-2-yl-1,4-thiazinane.
What is the SMILES notation for 3-ethyl-1,1-dimethyl-4-propan-2-yl-1,4-thiazinane?
The canonical SMILES for 3-ethyl-1,1-dimethyl-4-propan-2-yl-1,4-thiazinane is CCC1CS(C)(C)CCN1C(C)C.
What is the InChIKey of 3-ethyl-1,1-dimethyl-4-propan-2-yl-1,4-thiazinane?
The InChIKey is SOIYAHRVIMHWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-6-11-9-13(4,5)8-7-12(11)10(2)3/h10-11H,6-9H2,1-5H3.
What are the key properties of 3-ethyl-1,1-dimethyl-4-propan-2-yl-1,4-thiazinane?
3-ethyl-1,1-dimethyl-4-propan-2-yl-1,4-thiazinane has a molecular weight of 203.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1-dimethyl-4-propan-2-yl-1,4-thiazinane is sourced from PubChem (CID 156572943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).