1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride

C11H20ClN3O2S — CID 119936904

IUPAC1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCCN1C(=O)CC1CSCCN1
InChIInChI=1S/C11H19N3O2S.ClH/c12-11(16)9-2-1-4-14(9)10(15)6-8-7-17-5-3-13-8;/h8-9,13H,1-7H2,(H2,12,16);1H
InChIKeyBWGBUVZFXFWFJO-UHFFFAOYSA-N
MW293.82 g/mol
LogP-0.02
Rot. Bonds3

About 1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride

1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119936904) has the molecular formula C11H20ClN3O2S and a molecular weight of 293.82 g/mol. Its IUPAC name is 1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119936904
Molecular FormulaC11H20ClN3O2S
Molecular Weight293.82 g/mol
Exact Mass293.10
IUPAC Name1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCCN1C(=O)CC1CSCCN1
InChIInChI=1S/C11H19N3O2S.ClH/c12-11(16)9-2-1-4-14(9)10(15)6-8-7-17-5-3-13-8;/h8-9,13H,1-7H2,(H2,12,16);1H
InChIKeyBWGBUVZFXFWFJO-UHFFFAOYSA-N
XLogP-0.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyrrolidin-2-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119726913
1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119938341
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66420023
6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride
CID 119936929
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119935933
N-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119936744
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941029
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119936713

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119936904) is 1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.NC(=O)C1CCCN1C(=O)CC1CSCCN1.
What is the InChIKey of 1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is BWGBUVZFXFWFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S.ClH/c12-11(16)9-2-1-4-14(9)10(15)6-8-7-17-5-3-13-8;/h8-9,13H,1-7H2,(H2,12,16);1H.
What are the key properties of 1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride?
1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 293.82 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119936904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).