2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)thiomorpholine

C11H22N2S — CID 115741593

IUPAC2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)thiomorpholine
SMILESCC1SCCN(CC2CCNC2)C1C
InChIInChI=1S/C11H22N2S/c1-9-10(2)14-6-5-13(9)8-11-3-4-12-7-11/h9-12H,3-8H2,1-2H3
InChIKeyCCSVXVCDJIGQOH-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.42
Rot. Bonds2

About 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)thiomorpholine

2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)thiomorpholine (PubChem CID 115741593) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)thiomorpholine.

Molecular Properties

Compound Name2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)thiomorpholine
PubChem CID115741593
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)thiomorpholine
SMILESCC1SCCN(CC2CCNC2)C1C
InChIInChI=1S/C11H22N2S/c1-9-10(2)14-6-5-13(9)8-11-3-4-12-7-11/h9-12H,3-8H2,1-2H3
InChIKeyCCSVXVCDJIGQOH-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-4-[[(3S)-pyrrolidin-3-yl]methyl]thiomorpholine
CID 164655319
2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride
CID 56831717
2,3-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine
CID 107069479
2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine
CID 119931929
3,4-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrrolidine
CID 79188343
1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 120854846
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
CID 14627372
2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane
CID 156712071
[4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol
CID 83821345
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
(3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86323532

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)thiomorpholine?
The IUPAC name of 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)thiomorpholine (CID 115741593) is 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)thiomorpholine.
What is the SMILES notation for 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)thiomorpholine?
The canonical SMILES for 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)thiomorpholine is CC1SCCN(CC2CCNC2)C1C.
What is the InChIKey of 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)thiomorpholine?
The InChIKey is CCSVXVCDJIGQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9-10(2)14-6-5-13(9)8-11-3-4-12-7-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)thiomorpholine?
2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)thiomorpholine has a molecular weight of 214.38 g/mol, XLogP of 1.42, 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-(pyrrolidin-3-ylmethyl)thiomorpholine is sourced from PubChem (CID 115741593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).