1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride

C11H21ClN2O3S — CID 119791797

IUPAC1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCC1CS(=O)(=O)CCN1C(=O)CC1CCCN1.Cl
InChIInChI=1S/C11H20N2O3S.ClH/c1-9-8-17(15,16)6-5-13(9)11(14)7-10-3-2-4-12-10;/h9-10,12H,2-8H2,1H3;1H
InChIKeyLRDGASXOTDUQKC-UHFFFAOYSA-N
MW296.82 g/mol
LogP0.20
Rot. Bonds2

About 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride

1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride (PubChem CID 119791797) has the molecular formula C11H21ClN2O3S and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
PubChem CID119791797
Molecular FormulaC11H21ClN2O3S
Molecular Weight296.82 g/mol
Exact Mass296.10
IUPAC Name1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCC1CS(=O)(=O)CCN1C(=O)CC1CCCN1.Cl
InChIInChI=1S/C11H20N2O3S.ClH/c1-9-8-17(15,16)6-5-13(9)11(14)7-10-3-2-4-12-10;/h9-10,12H,2-8H2,1H3;1H
InChIKeyLRDGASXOTDUQKC-UHFFFAOYSA-N
XLogP0.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride with MolForge

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Related Compounds

1-(2-methylpiperidin-1-yl)-2-piperidin-2-ylethanone
CID 43151335
1-(2,3-dimethylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62122858
1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119791732
1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
CID 80520954
2-(1,4-diazepan-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 102883320
3-chloro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102883010
1-(2-pyrrolidin-2-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119726913
1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-2-en-1-one
CID 102883016
1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119809613
1-(2-cyclopentylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119744515
2,2-dimethyl-1-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119708849
6-methyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-3-carboxamide
CID 61366636

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The IUPAC name of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride (CID 119791797) is 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The canonical SMILES for 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride is CC1CS(=O)(=O)CCN1C(=O)CC1CCCN1.Cl.
What is the InChIKey of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The InChIKey is LRDGASXOTDUQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S.ClH/c1-9-8-17(15,16)6-5-13(9)11(14)7-10-3-2-4-12-10;/h9-10,12H,2-8H2,1H3;1H.
What are the key properties of 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride has a molecular weight of 296.82 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride is sourced from PubChem (CID 119791797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).