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

C10H21NS — CID 66233327

IUPAC4-methyl-2-pentan-2-yl-1,3-thiazinane
SMILESCCCC(C)C1NC(C)CCS1
InChIInChI=1S/C10H21NS/c1-4-5-8(2)10-11-9(3)6-7-12-10/h8-11H,4-7H2,1-3H3
InChIKeyKIYSNIAJIBXYTR-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.86
Rot. Bonds3

About 4-methyl-2-pentan-2-yl-1,3-thiazinane

4-methyl-2-pentan-2-yl-1,3-thiazinane (PubChem CID 66233327) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-methyl-2-pentan-2-yl-1,3-thiazinane.

Molecular Properties

Compound Name4-methyl-2-pentan-2-yl-1,3-thiazinane
PubChem CID66233327
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4-methyl-2-pentan-2-yl-1,3-thiazinane
SMILESCCCC(C)C1NC(C)CCS1
InChIInChI=1S/C10H21NS/c1-4-5-8(2)10-11-9(3)6-7-12-10/h8-11H,4-7H2,1-3H3
InChIKeyKIYSNIAJIBXYTR-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.86
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
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
2H-1,3-Thiazine, tetrahydro-2-butyl-, hydrochloride
CID 3061405
2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061407
3-[(Methylsulfanyl)methyl]piperidine hydrochloride
CID 56773818
4-((Ethylsulfanyl)methyl)piperidine hydrochloride
CID 72716513
4-(Tert-butylsulfanyl)piperidine hydrochloride
CID 72716464
Methyl[(thian-3-yl)methyl]amine hydrochloride
CID 165977447
3-Isopropylthiomorpholine
CID 55288486
N-[2-(propylthio)ethyl]piperidin-4-amine
CID 56722598
2-Butyl-1,3-thiazinane
CID 3061406

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pentan-2-yl-1,3-thiazinane?
The IUPAC name of 4-methyl-2-pentan-2-yl-1,3-thiazinane (CID 66233327) is 4-methyl-2-pentan-2-yl-1,3-thiazinane.
What is the SMILES notation for 4-methyl-2-pentan-2-yl-1,3-thiazinane?
The canonical SMILES for 4-methyl-2-pentan-2-yl-1,3-thiazinane is CCCC(C)C1NC(C)CCS1.
What is the InChIKey of 4-methyl-2-pentan-2-yl-1,3-thiazinane?
The InChIKey is KIYSNIAJIBXYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-5-8(2)10-11-9(3)6-7-12-10/h8-11H,4-7H2,1-3H3.
What are the key properties of 4-methyl-2-pentan-2-yl-1,3-thiazinane?
4-methyl-2-pentan-2-yl-1,3-thiazinane has a molecular weight of 187.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pentan-2-yl-1,3-thiazinane is sourced from PubChem (CID 66233327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).