1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane

C10H23NS — CID 171818329

IUPAC1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane
SMILESCC(C)C1CS(C)(C)CCN1C
InChIInChI=1S/C10H23NS/c1-9(2)10-8-12(4,5)7-6-11(10)3/h9-10H,6-8H2,1-5H3
InChIKeyMAGYIJHREDCZES-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.02
Rot. Bonds1

About 1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane

1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane (PubChem CID 171818329) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane.

Molecular Properties

Compound Name1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane
PubChem CID171818329
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane
SMILESCC(C)C1CS(C)(C)CCN1C
InChIInChI=1S/C10H23NS/c1-9(2)10-8-12(4,5)7-6-11(10)3/h9-10H,6-8H2,1-5H3
InChIKeyMAGYIJHREDCZES-UHFFFAOYSA-N
XLogP2.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane?
The IUPAC name of 1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane (CID 171818329) is 1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane.
What is the SMILES notation for 1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane?
The canonical SMILES for 1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane is CC(C)C1CS(C)(C)CCN1C.
What is the InChIKey of 1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane?
The InChIKey is MAGYIJHREDCZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-9(2)10-8-12(4,5)7-6-11(10)3/h9-10H,6-8H2,1-5H3.
What are the key properties of 1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane?
1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane has a molecular weight of 189.37 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane is sourced from PubChem (CID 171818329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).