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

C9H20ClNS — CID 3061407

IUPAC2-pentan-2-yl-1,3-thiazinane;hydrochloride
SMILESCCCC(C)C1NCCCS1.Cl
InChIInChI=1S/C9H19NS.ClH/c1-3-5-8(2)9-10-6-4-7-11-9;/h8-10H,3-7H2,1-2H3;1H
InChIKeySKPYIOWWWIOGGT-UHFFFAOYSA-N
MW209.79 g/mol
LogP2.90
Rot. Bonds3

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

2-pentan-2-yl-1,3-thiazinane;hydrochloride (PubChem CID 3061407) has the molecular formula C9H20ClNS and a molecular weight of 209.79 g/mol. Its IUPAC name is 2-pentan-2-yl-1,3-thiazinane;hydrochloride.

Molecular Properties

Compound Name2-pentan-2-yl-1,3-thiazinane;hydrochloride
PubChem CID3061407
Molecular FormulaC9H20ClNS
Molecular Weight209.79 g/mol
Exact Mass209.10
IUPAC Name2-pentan-2-yl-1,3-thiazinane;hydrochloride
SMILESCCCC(C)C1NCCCS1.Cl
InChIInChI=1S/C9H19NS.ClH/c1-3-5-8(2)9-10-6-4-7-11-9;/h8-10H,3-7H2,1-2H3;1H
InChIKeySKPYIOWWWIOGGT-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.79
LogP ≤ 52.90
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;hydrochloride?
The IUPAC name of 2-pentan-2-yl-1,3-thiazinane;hydrochloride (CID 3061407) is 2-pentan-2-yl-1,3-thiazinane;hydrochloride.
What is the SMILES notation for 2-pentan-2-yl-1,3-thiazinane;hydrochloride?
The canonical SMILES for 2-pentan-2-yl-1,3-thiazinane;hydrochloride is CCCC(C)C1NCCCS1.Cl.
What is the InChIKey of 2-pentan-2-yl-1,3-thiazinane;hydrochloride?
The InChIKey is SKPYIOWWWIOGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS.ClH/c1-3-5-8(2)9-10-6-4-7-11-9;/h8-10H,3-7H2,1-2H3;1H.
What are the key properties of 2-pentan-2-yl-1,3-thiazinane;hydrochloride?
2-pentan-2-yl-1,3-thiazinane;hydrochloride has a molecular weight of 209.79 g/mol, XLogP of 2.90, 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;hydrochloride is sourced from PubChem (CID 3061407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).