2-pentan-2-yl-1,3-thiazinane

C9H19NS — CID 3061408

IUPAC2-pentan-2-yl-1,3-thiazinane
SMILESCCCC(C)C1NCCCS1
InChIInChI=1S/C9H19NS/c1-3-5-8(2)9-10-6-4-7-11-9/h8-10H,3-7H2,1-2H3
InChIKeyRTGSJOUFKVMUFN-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.48
Rot. Bonds3

About 2-pentan-2-yl-1,3-thiazinane

2-pentan-2-yl-1,3-thiazinane (PubChem CID 3061408) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 2-pentan-2-yl-1,3-thiazinane.

Molecular Properties

Compound Name2-pentan-2-yl-1,3-thiazinane
PubChem CID3061408
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name2-pentan-2-yl-1,3-thiazinane
SMILESCCCC(C)C1NCCCS1
InChIInChI=1S/C9H19NS/c1-3-5-8(2)9-10-6-4-7-11-9/h8-10H,3-7H2,1-2H3
InChIKeyRTGSJOUFKVMUFN-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yl-1,3-thiazinane?
The IUPAC name of 2-pentan-2-yl-1,3-thiazinane (CID 3061408) is 2-pentan-2-yl-1,3-thiazinane.
What is the SMILES notation for 2-pentan-2-yl-1,3-thiazinane?
The canonical SMILES for 2-pentan-2-yl-1,3-thiazinane is CCCC(C)C1NCCCS1.
What is the InChIKey of 2-pentan-2-yl-1,3-thiazinane?
The InChIKey is RTGSJOUFKVMUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-5-8(2)9-10-6-4-7-11-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-pentan-2-yl-1,3-thiazinane?
2-pentan-2-yl-1,3-thiazinane has a molecular weight of 173.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-1,3-thiazinane is sourced from PubChem (CID 3061408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).