2-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazinane

C9H19NOS — CID 116502940

IUPAC2-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazinane
SMILESCOCC(C)C1NC(C)CCS1
InChIInChI=1S/C9H19NOS/c1-7(6-11-3)9-10-8(2)4-5-12-9/h7-10H,4-6H2,1-3H3
InChIKeyPQCLNAXSVBADHR-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.71
Rot. Bonds3

About 2-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazinane

2-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazinane (PubChem CID 116502940) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazinane
PubChem CID116502940
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazinane
SMILESCOCC(C)C1NC(C)CCS1
InChIInChI=1S/C9H19NOS/c1-7(6-11-3)9-10-8(2)4-5-12-9/h7-10H,4-6H2,1-3H3
InChIKeyPQCLNAXSVBADHR-UHFFFAOYSA-N
XLogP1.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazinane?
The IUPAC name of 2-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazinane (CID 116502940) is 2-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazinane.
What is the SMILES notation for 2-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazinane?
The canonical SMILES for 2-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazinane is COCC(C)C1NC(C)CCS1.
What is the InChIKey of 2-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazinane?
The InChIKey is PQCLNAXSVBADHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-7(6-11-3)9-10-8(2)4-5-12-9/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazinane?
2-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazinane has a molecular weight of 189.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazinane is sourced from PubChem (CID 116502940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).