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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Related Compounds

2,4,6-Triisobutyl-5,6-dihydro-4H-1,3,5-dithiazine
CID 46941523
2-(Pentan-2-yl)-1,3-thiazolidine
CID 218555
4-Isobutyl-2,6-dimethyl-1,3,5-dithiazinane
CID 71587382
Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine
CID 88623012
1,3,5-Dithiazine, perhydro-6-butyl-2,4-dimethyl
CID 529058
2-(Propan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061403
2H-1,3-Thiazine, tetrahydro-2-butyl-, hydrochloride
CID 3061405
2-Nonyl-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061409
4-((Methylsulfanyl)methyl)piperidine hydrochloride
CID 56773736
3-[(Methylsulfanyl)methyl]piperidine hydrochloride
CID 56773818
4-((Ethylsulfanyl)methyl)piperidine hydrochloride
CID 72716513
(2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane
CID 162979695

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).