2,3-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine

C13H26N2S — CID 107069479

IUPAC2,3-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine
SMILESCC1CCCNC1CN1CCSC(C)C1C
InChIInChI=1S/C13H26N2S/c1-10-5-4-6-14-13(10)9-15-7-8-16-12(3)11(15)2/h10-14H,4-9H2,1-3H3
InChIKeyLKILHGINIHXQKU-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.20
Rot. Bonds2

About 2,3-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine

2,3-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine (PubChem CID 107069479) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 2,3-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name2,3-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine
PubChem CID107069479
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name2,3-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine
SMILESCC1CCCNC1CN1CCSC(C)C1C
InChIInChI=1S/C13H26N2S/c1-10-5-4-6-14-13(10)9-15-7-8-16-12(3)11(15)2/h10-14H,4-9H2,1-3H3
InChIKeyLKILHGINIHXQKU-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine?
The IUPAC name of 2,3-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine (CID 107069479) is 2,3-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine.
What is the SMILES notation for 2,3-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine?
The canonical SMILES for 2,3-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine is CC1CCCNC1CN1CCSC(C)C1C.
What is the InChIKey of 2,3-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine?
The InChIKey is LKILHGINIHXQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-10-5-4-6-14-13(10)9-15-7-8-16-12(3)11(15)2/h10-14H,4-9H2,1-3H3.
What are the key properties of 2,3-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine?
2,3-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine has a molecular weight of 242.43 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine is sourced from PubChem (CID 107069479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).