(2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone

C11H19NO3S — CID 100671287

IUPAC(2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone
SMILESCC1(C)CCCN1C(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO3S/c1-11(2)5-3-6-12(11)10(13)9-4-7-16(14,15)8-9/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyDGHHGRXDSQMNRN-VIFPVBQESA-N
MW245.34 g/mol
LogP0.82
Rot. Bonds1

About (2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone

(2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone (PubChem CID 100671287) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone
PubChem CID100671287
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone
SMILESCC1(C)CCCN1C(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO3S/c1-11(2)5-3-6-12(11)10(13)9-4-7-16(14,15)8-9/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyDGHHGRXDSQMNRN-VIFPVBQESA-N
XLogP0.82
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783009
aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
1-(1,1-dioxothiolane-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146844
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 107159946
[(2R)-azetidin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 130719344
1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126750038
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 115270531
methyl 2-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-2-yl]acetate
CID 61010521
cyclopropyl-(2-methyl-2-propan-2-ylpyrrolidin-1-yl)methanone
CID 118284715
1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355636
(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone
CID 110848852
methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410317

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone (CID 100671287) is (2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone is CC1(C)CCCN1C(=O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone?
The InChIKey is DGHHGRXDSQMNRN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO3S/c1-11(2)5-3-6-12(11)10(13)9-4-7-16(14,15)8-9/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone?
(2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone has a molecular weight of 245.34 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone is sourced from PubChem (CID 100671287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).