1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile

C11H13N3O3S — CID 146541445

IUPAC1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C#N)cn1
InChIInChI=1S/C11H13N3O3S/c1-17-11-5-4-10(8-13-11)18(15,16)14-6-2-3-9(14)7-12/h4-5,8-9H,2-3,6H2,1H3
InChIKeyVJEIIQOCLWDAEI-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.77
Rot. Bonds3

About 1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile

1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile (PubChem CID 146541445) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
PubChem CID146541445
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C#N)cn1
InChIInChI=1S/C11H13N3O3S/c1-17-11-5-4-10(8-13-11)18(15,16)14-6-2-3-9(14)7-12/h4-5,8-9H,2-3,6H2,1H3
InChIKeyVJEIIQOCLWDAEI-UHFFFAOYSA-N
XLogP0.77
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
CID 146541443
2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012
1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidine-2-carbonitrile
CID 82854286
1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one
CID 69088398
2-ethoxy-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyridine
CID 97348801
3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106595218
5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103833912
(2R)-N-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 40645847
2-methoxy-5-methylsulfonylpyridine
CID 13433434
2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine
CID 146643179
4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]morpholine-3-carbonitrile
CID 119040225
1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 99803410

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile?
The IUPAC name of 1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile (CID 146541445) is 1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile is COc1ccc(S(=O)(=O)N2CCCC2C#N)cn1.
What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile?
The InChIKey is VJEIIQOCLWDAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-17-11-5-4-10(8-13-11)18(15,16)14-6-2-3-9(14)7-12/h4-5,8-9H,2-3,6H2,1H3.
What are the key properties of 1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile?
1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile has a molecular weight of 267.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 146541445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).