5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one

C11H17N3O3S — CID 63174689

IUPAC5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESCN(C)C1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C11H17N3O3S/c1-13(2)9-5-6-14(8-9)18(16,17)10-3-4-11(15)12-7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,12,15)
InChIKeyVQKSTTAZWKJEDO-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.30
Rot. Bonds3

About 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one

5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one (PubChem CID 63174689) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
PubChem CID63174689
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESCN(C)C1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C11H17N3O3S/c1-13(2)9-5-6-14(8-9)18(16,17)10-3-4-11(15)12-7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,12,15)
InChIKeyVQKSTTAZWKJEDO-UHFFFAOYSA-N
XLogP-0.30
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one (CID 63174689) is 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one is CN(C)C1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one?
The InChIKey is VQKSTTAZWKJEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-13(2)9-5-6-14(8-9)18(16,17)10-3-4-11(15)12-7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,12,15).
What are the key properties of 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one?
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one has a molecular weight of 271.34 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 63174689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).