1,1,2-trimethyl-6-propan-2-yl-1,2,6-thiadiazinane

C9H22N2S — CID 177204481

IUPAC1,1,2-trimethyl-6-propan-2-yl-1,2,6-thiadiazinane
SMILESCC(C)N1CCCN(C)S1(C)C
InChIInChI=1S/C9H22N2S/c1-9(2)11-8-6-7-10(3)12(11,4)5/h9H,6-8H2,1-5H3
InChIKeyJUCWCTDVUHIYOW-UHFFFAOYSA-N
MW190.36 g/mol
LogP1.93
Rot. Bonds1

About 1,1,2-trimethyl-6-propan-2-yl-1,2,6-thiadiazinane

1,1,2-trimethyl-6-propan-2-yl-1,2,6-thiadiazinane (PubChem CID 177204481) has the molecular formula C9H22N2S and a molecular weight of 190.36 g/mol. Its IUPAC name is 1,1,2-trimethyl-6-propan-2-yl-1,2,6-thiadiazinane.

Molecular Properties

Compound Name1,1,2-trimethyl-6-propan-2-yl-1,2,6-thiadiazinane
PubChem CID177204481
Molecular FormulaC9H22N2S
Molecular Weight190.36 g/mol
Exact Mass190.15
IUPAC Name1,1,2-trimethyl-6-propan-2-yl-1,2,6-thiadiazinane
SMILESCC(C)N1CCCN(C)S1(C)C
InChIInChI=1S/C9H22N2S/c1-9(2)11-8-6-7-10(3)12(11,4)5/h9H,6-8H2,1-5H3
InChIKeyJUCWCTDVUHIYOW-UHFFFAOYSA-N
XLogP1.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-6-propan-2-yl-1,2,6-thiadiazinane?
The IUPAC name of 1,1,2-trimethyl-6-propan-2-yl-1,2,6-thiadiazinane (CID 177204481) is 1,1,2-trimethyl-6-propan-2-yl-1,2,6-thiadiazinane.
What is the SMILES notation for 1,1,2-trimethyl-6-propan-2-yl-1,2,6-thiadiazinane?
The canonical SMILES for 1,1,2-trimethyl-6-propan-2-yl-1,2,6-thiadiazinane is CC(C)N1CCCN(C)S1(C)C.
What is the InChIKey of 1,1,2-trimethyl-6-propan-2-yl-1,2,6-thiadiazinane?
The InChIKey is JUCWCTDVUHIYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2S/c1-9(2)11-8-6-7-10(3)12(11,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 1,1,2-trimethyl-6-propan-2-yl-1,2,6-thiadiazinane?
1,1,2-trimethyl-6-propan-2-yl-1,2,6-thiadiazinane has a molecular weight of 190.36 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-6-propan-2-yl-1,2,6-thiadiazinane is sourced from PubChem (CID 177204481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).