3,4-diethyl-2-methylthiomorpholine

C9H19NS — CID 12517923

IUPAC3,4-diethyl-2-methylthiomorpholine
SMILESCCC1C(C)SCCN1CC
InChIInChI=1S/C9H19NS/c1-4-9-8(3)11-7-6-10(9)5-2/h8-9H,4-7H2,1-3H3
InChIKeyXHDSXJMPDGUBDU-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.22
Rot. Bonds2

About 3,4-diethyl-2-methylthiomorpholine

3,4-diethyl-2-methylthiomorpholine (PubChem CID 12517923) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3,4-diethyl-2-methylthiomorpholine.

Molecular Properties

Compound Name3,4-diethyl-2-methylthiomorpholine
PubChem CID12517923
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3,4-diethyl-2-methylthiomorpholine
SMILESCCC1C(C)SCCN1CC
InChIInChI=1S/C9H19NS/c1-4-9-8(3)11-7-6-10(9)5-2/h8-9H,4-7H2,1-3H3
InChIKeyXHDSXJMPDGUBDU-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-4-(tetrahydro-3-thienyl)piperazine
CID 3838410
(r,s)-3-Isopropylsulfanyl-1-methyl-piperidine
CID 15063103
4-Fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine
CID 167008502
3-Methyl-4-propan-2-yl-5-(trifluoromethyl)thiomorpholine
CID 176871810
4-Butylthiomorpholine
CID 12517933
InChI=1/C7H15NS/c1-7(2)8-4-3-5-9-6-8/h7H,3-6H2,1-2H
CID 12634520
N,N-dimethylthian-3-amine
CID 14024578
3-Ethyl-2,4-dimethylthiomorpholine
CID 12517922
3-Ethylsulfanyl-1-methylpiperidine
CID 15063101
3-Methyl-4-(3,3,3-trifluoropropyl)thiomorpholine
CID 127349536
4-(3-Fluoropropyl)-2,3-dimethylthiomorpholine
CID 127497755
4-(2-Fluorobutyl)-3-methylthiomorpholine
CID 130684425

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-2-methylthiomorpholine?
The IUPAC name of 3,4-diethyl-2-methylthiomorpholine (CID 12517923) is 3,4-diethyl-2-methylthiomorpholine.
What is the SMILES notation for 3,4-diethyl-2-methylthiomorpholine?
The canonical SMILES for 3,4-diethyl-2-methylthiomorpholine is CCC1C(C)SCCN1CC.
What is the InChIKey of 3,4-diethyl-2-methylthiomorpholine?
The InChIKey is XHDSXJMPDGUBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-9-8(3)11-7-6-10(9)5-2/h8-9H,4-7H2,1-3H3.
What are the key properties of 3,4-diethyl-2-methylthiomorpholine?
3,4-diethyl-2-methylthiomorpholine has a molecular weight of 173.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-2-methylthiomorpholine is sourced from PubChem (CID 12517923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).