2,4-dimethylthiomorpholine

C6H13NS — CID 14953861

IUPAC2,4-dimethylthiomorpholine
SMILESCC1CN(C)CCS1
InChIInChI=1S/C6H13NS/c1-6-5-7(2)3-4-8-6/h6H,3-5H2,1-2H3
InChIKeyRHVDTUGABBCLDX-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.05
Rot. Bonds

About 2,4-dimethylthiomorpholine

2,4-dimethylthiomorpholine (PubChem CID 14953861) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 2,4-dimethylthiomorpholine.

Molecular Properties

Compound Name2,4-dimethylthiomorpholine
PubChem CID14953861
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name2,4-dimethylthiomorpholine
SMILESCC1CN(C)CCS1
InChIInChI=1S/C6H13NS/c1-6-5-7(2)3-4-8-6/h6H,3-5H2,1-2H3
InChIKeyRHVDTUGABBCLDX-UHFFFAOYSA-N
XLogP1.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methylthiomorpholine
CID 523249
N-Ethylthiomorpholine
CID 523250
(r,s)-1-Methyl-3-methylsulfanyl-piperidine
CID 15063099
2,2-Dimethyl-4-(prop-2-yn-1-yl)thiomorpholine
CID 115683618
2,2-Dimethylthiomorpholine-4-carbonitrile
CID 116404789
(2R)-4-(but-3-yn-1-yl)-2-methylthiomorpholine
CID 139026731
1-Methyl-4-(methylthio)piperidin
CID 54107306
4-Methyl-2-(trifluoromethyl)thiomorpholine
CID 145167716
4-Butylthiomorpholine
CID 12517933
Tetrahydro-3-methyl-2H-1,3-thiazine
CID 12634513
2,3-Dimethyl-1,3-thiazinane
CID 12634515
InChI=1/C6H13NS/c1-2-7-4-3-5-8-6-7/h2-6H2,1H
CID 12634516

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylthiomorpholine?
The IUPAC name of 2,4-dimethylthiomorpholine (CID 14953861) is 2,4-dimethylthiomorpholine.
What is the SMILES notation for 2,4-dimethylthiomorpholine?
The canonical SMILES for 2,4-dimethylthiomorpholine is CC1CN(C)CCS1.
What is the InChIKey of 2,4-dimethylthiomorpholine?
The InChIKey is RHVDTUGABBCLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-6-5-7(2)3-4-8-6/h6H,3-5H2,1-2H3.
What are the key properties of 2,4-dimethylthiomorpholine?
2,4-dimethylthiomorpholine has a molecular weight of 131.24 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylthiomorpholine is sourced from PubChem (CID 14953861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).