pyrrolidin-3-yl(thiomorpholin-4-yl)methanone

C9H16N2OS — CID 63006219

IUPACpyrrolidin-3-yl(thiomorpholin-4-yl)methanone
SMILESO=C(C1CCNC1)N1CCSCC1
InChIInChI=1S/C9H16N2OS/c12-9(8-1-2-10-7-8)11-3-5-13-6-4-11/h8,10H,1-7H2
InChIKeyVAEKIZBVJCMHKN-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.17
Rot. Bonds1

About pyrrolidin-3-yl(thiomorpholin-4-yl)methanone

pyrrolidin-3-yl(thiomorpholin-4-yl)methanone (PubChem CID 63006219) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is pyrrolidin-3-yl(thiomorpholin-4-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-3-yl(thiomorpholin-4-yl)methanone
PubChem CID63006219
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Namepyrrolidin-3-yl(thiomorpholin-4-yl)methanone
SMILESO=C(C1CCNC1)N1CCSCC1
InChIInChI=1S/C9H16N2OS/c12-9(8-1-2-10-7-8)11-3-5-13-6-4-11/h8,10H,1-7H2
InChIKeyVAEKIZBVJCMHKN-UHFFFAOYSA-N
XLogP0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiomorpholin-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63709846
(2,6-Dimethylthiomorpholin-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 64117661
2-thiomorpholin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 66421836
N-(2-thiomorpholin-4-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106325153
2-Thiomorpholin-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 114271818
(2-Methylthiomorpholin-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116320513
(2-Ethylthiomorpholin-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116400416
(2,2-Dimethylthiomorpholin-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116404698
2-thiomorpholin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
CID 119941343
1-[3-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119942472
1-cyclopentyl-4-[(tetrahydro-2H-thiopyran-4-ylamino)methyl]pyrrolidin-2-one
CID 50970230
N,N-dimethyl-2-thiomorpholin-3-ylpropanamide
CID 23090428

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl(thiomorpholin-4-yl)methanone?
The IUPAC name of pyrrolidin-3-yl(thiomorpholin-4-yl)methanone (CID 63006219) is pyrrolidin-3-yl(thiomorpholin-4-yl)methanone.
What is the SMILES notation for pyrrolidin-3-yl(thiomorpholin-4-yl)methanone?
The canonical SMILES for pyrrolidin-3-yl(thiomorpholin-4-yl)methanone is O=C(C1CCNC1)N1CCSCC1.
What is the InChIKey of pyrrolidin-3-yl(thiomorpholin-4-yl)methanone?
The InChIKey is VAEKIZBVJCMHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c12-9(8-1-2-10-7-8)11-3-5-13-6-4-11/h8,10H,1-7H2.
What are the key properties of pyrrolidin-3-yl(thiomorpholin-4-yl)methanone?
pyrrolidin-3-yl(thiomorpholin-4-yl)methanone has a molecular weight of 200.31 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl(thiomorpholin-4-yl)methanone is sourced from PubChem (CID 63006219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).