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

C11H22N2S — CID 164655319

IUPAC2,3-dimethyl-4-[[(3S)-pyrrolidin-3-yl]methyl]thiomorpholine
SMILESCC1SCCN(C[C@H]2CCNC2)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/t9?,10?,11-/m0/s1
InChIKeyCCSVXVCDJIGQOH-ILDUYXDCSA-N
MW214.38 g/mol
LogP1.42
Rot. Bonds2

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

2,3-dimethyl-4-[[(3S)-pyrrolidin-3-yl]methyl]thiomorpholine (PubChem CID 164655319) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2,3-dimethyl-4-[[(3S)-pyrrolidin-3-yl]methyl]thiomorpholine.

Molecular Properties

Compound Name2,3-dimethyl-4-[[(3S)-pyrrolidin-3-yl]methyl]thiomorpholine
PubChem CID164655319
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2,3-dimethyl-4-[[(3S)-pyrrolidin-3-yl]methyl]thiomorpholine
SMILESCC1SCCN(C[C@H]2CCNC2)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/t9?,10?,11-/m0/s1
InChIKeyCCSVXVCDJIGQOH-ILDUYXDCSA-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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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[[(3S)-pyrrolidin-3-yl]methyl]thiomorpholine?
The IUPAC name of 2,3-dimethyl-4-[[(3S)-pyrrolidin-3-yl]methyl]thiomorpholine (CID 164655319) is 2,3-dimethyl-4-[[(3S)-pyrrolidin-3-yl]methyl]thiomorpholine.
What is the SMILES notation for 2,3-dimethyl-4-[[(3S)-pyrrolidin-3-yl]methyl]thiomorpholine?
The canonical SMILES for 2,3-dimethyl-4-[[(3S)-pyrrolidin-3-yl]methyl]thiomorpholine is CC1SCCN(C[C@H]2CCNC2)C1C.
What is the InChIKey of 2,3-dimethyl-4-[[(3S)-pyrrolidin-3-yl]methyl]thiomorpholine?
The InChIKey is CCSVXVCDJIGQOH-ILDUYXDCSA-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/t9?,10?,11-/m0/s1.
What are the key properties of 2,3-dimethyl-4-[[(3S)-pyrrolidin-3-yl]methyl]thiomorpholine?
2,3-dimethyl-4-[[(3S)-pyrrolidin-3-yl]methyl]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-[[(3S)-pyrrolidin-3-yl]methyl]thiomorpholine is sourced from PubChem (CID 164655319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).