(2R)-2-[(2S)-pentan-2-yl]-1,3-thiazinane

C9H19NS — CID 92644098

IUPAC(2R)-2-[(2S)-pentan-2-yl]-1,3-thiazinane
SMILESCCC[C@H](C)[C@@H]1NCCCS1
InChIInChI=1S/C9H19NS/c1-3-5-8(2)9-10-6-4-7-11-9/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyRTGSJOUFKVMUFN-DTWKUNHWSA-N
MW173.32 g/mol
LogP2.48
Rot. Bonds3

About (2R)-2-[(2S)-pentan-2-yl]-1,3-thiazinane

(2R)-2-[(2S)-pentan-2-yl]-1,3-thiazinane (PubChem CID 92644098) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (2R)-2-[(2S)-pentan-2-yl]-1,3-thiazinane.

Molecular Properties

Compound Name(2R)-2-[(2S)-pentan-2-yl]-1,3-thiazinane
PubChem CID92644098
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(2R)-2-[(2S)-pentan-2-yl]-1,3-thiazinane
SMILESCCC[C@H](C)[C@@H]1NCCCS1
InChIInChI=1S/C9H19NS/c1-3-5-8(2)9-10-6-4-7-11-9/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyRTGSJOUFKVMUFN-DTWKUNHWSA-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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Related Compounds

4-methyl-2-pentan-2-yl-1,3-thiazinane
CID 66233327
2-(1-cyclohexylethyl)-1,3-thiazinane
CID 130684752
2-nonyl-1,3-thiazinane;hydrochloride
CID 3061409
2-pentan-2-ylthiirane
CID 123614028
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
2-(2-methylsulfanylethyl)-1,3-thiazinane
CID 66218754
2-(1-fluorobutyl)piperidine
CID 105431346
3-pentan-2-ylazepane
CID 107889859
1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol
CID 141047771
butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886
2-[(2S)-2-methyloctyl]-1,3-dithiane
CID 11447987

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-pentan-2-yl]-1,3-thiazinane?
The IUPAC name of (2R)-2-[(2S)-pentan-2-yl]-1,3-thiazinane (CID 92644098) is (2R)-2-[(2S)-pentan-2-yl]-1,3-thiazinane.
What is the SMILES notation for (2R)-2-[(2S)-pentan-2-yl]-1,3-thiazinane?
The canonical SMILES for (2R)-2-[(2S)-pentan-2-yl]-1,3-thiazinane is CCC[C@H](C)[C@@H]1NCCCS1.
What is the InChIKey of (2R)-2-[(2S)-pentan-2-yl]-1,3-thiazinane?
The InChIKey is RTGSJOUFKVMUFN-DTWKUNHWSA-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/t8-,9+/m0/s1.
What are the key properties of (2R)-2-[(2S)-pentan-2-yl]-1,3-thiazinane?
(2R)-2-[(2S)-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 (2R)-2-[(2S)-pentan-2-yl]-1,3-thiazinane is sourced from PubChem (CID 92644098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).