1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride

C12H23ClN2OS — CID 119791732

IUPAC1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCC1SCCN(C(=O)CC2CCCN2)C1C.Cl
InChIInChI=1S/C12H22N2OS.ClH/c1-9-10(2)16-7-6-14(9)12(15)8-11-4-3-5-13-11;/h9-11,13H,3-8H2,1-2H3;1H
InChIKeyKDRQPQUNQRIXPH-UHFFFAOYSA-N
MW278.85 g/mol
LogP1.90
Rot. Bonds2

About 1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride

1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride (PubChem CID 119791732) has the molecular formula C12H23ClN2OS and a molecular weight of 278.85 g/mol. Its IUPAC name is 1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
PubChem CID119791732
Molecular FormulaC12H23ClN2OS
Molecular Weight278.85 g/mol
Exact Mass278.12
IUPAC Name1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCC1SCCN(C(=O)CC2CCCN2)C1C.Cl
InChIInChI=1S/C12H22N2OS.ClH/c1-9-10(2)16-7-6-14(9)12(15)8-11-4-3-5-13-11;/h9-11,13H,3-8H2,1-2H3;1H
InChIKeyKDRQPQUNQRIXPH-UHFFFAOYSA-N
XLogP1.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.85
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62122858
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
CID 119705182
1-(2-methylpiperidin-1-yl)-2-piperidin-2-ylethanone
CID 43151335
1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119791797
1-(2-pyrrolidin-2-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119726913
1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119809613
1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119938341
1-(2-cyclopentylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119744515
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 107217877
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 107218090
1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 119788481
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The IUPAC name of 1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride (CID 119791732) is 1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The canonical SMILES for 1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride is CC1SCCN(C(=O)CC2CCCN2)C1C.Cl.
What is the InChIKey of 1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The InChIKey is KDRQPQUNQRIXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS.ClH/c1-9-10(2)16-7-6-14(9)12(15)8-11-4-3-5-13-11;/h9-11,13H,3-8H2,1-2H3;1H.
What are the key properties of 1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride has a molecular weight of 278.85 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride is sourced from PubChem (CID 119791732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).