(2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone

C11H20N2OS — CID 115740257

IUPAC(2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone
SMILESCC1(C)CN(C(=O)C2CCNC2)CCS1
InChIInChI=1S/C11H20N2OS/c1-11(2)8-13(5-6-15-11)10(14)9-3-4-12-7-9/h9,12H,3-8H2,1-2H3
InChIKeyBZUHQFCVEMHFLW-UHFFFAOYSA-N
MW228.36 g/mol
LogP0.95
Rot. Bonds1

About (2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone

(2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone (PubChem CID 115740257) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is (2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone
PubChem CID115740257
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name(2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone
SMILESCC1(C)CN(C(=O)C2CCNC2)CCS1
InChIInChI=1S/C11H20N2OS/c1-11(2)8-13(5-6-15-11)10(14)9-3-4-12-7-9/h9,12H,3-8H2,1-2H3
InChIKeyBZUHQFCVEMHFLW-UHFFFAOYSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634101
(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone
CID 119807946
1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119791856
(2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
CID 119791833
6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 71923474
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
(4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119803734
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
[4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 129495751
(2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone
CID 128980849
3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one
CID 63005991

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone (CID 115740257) is (2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone is CC1(C)CN(C(=O)C2CCNC2)CCS1.
What is the InChIKey of (2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is BZUHQFCVEMHFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-11(2)8-13(5-6-15-11)10(14)9-3-4-12-7-9/h9,12H,3-8H2,1-2H3.
What are the key properties of (2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone?
(2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone has a molecular weight of 228.36 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 115740257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).