1-[[(3R)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmethyl]cyclopropane-1-carbonitrile

C15H19N3O3S — CID 129333815

IUPAC1-[[(3R)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmethyl]cyclopropane-1-carbonitrile
SMILESCc1ccc(O[C@@H]2CCN(S(=O)(=O)CC3(C#N)CC3)C2)cn1
InChIInChI=1S/C15H19N3O3S/c1-12-2-3-13(8-17-12)21-14-4-7-18(9-14)22(19,20)11-15(10-16)5-6-15/h2-3,8,14H,4-7,9,11H2,1H3/t14-/m1/s1
InChIKeyMUQTZKYPHPTQJQ-CQSZACIVSA-N
MW321.40 g/mol
LogP1.48
Rot. Bonds5

About 1-[[(3R)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmethyl]cyclopropane-1-carbonitrile

1-[[(3R)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmethyl]cyclopropane-1-carbonitrile (PubChem CID 129333815) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[[(3R)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmethyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(3R)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmethyl]cyclopropane-1-carbonitrile
PubChem CID129333815
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-[[(3R)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmethyl]cyclopropane-1-carbonitrile
SMILESCc1ccc(O[C@@H]2CCN(S(=O)(=O)CC3(C#N)CC3)C2)cn1
InChIInChI=1S/C15H19N3O3S/c1-12-2-3-13(8-17-12)21-14-4-7-18(9-14)22(19,20)11-15(10-16)5-6-15/h2-3,8,14H,4-7,9,11H2,1H3/t14-/m1/s1
InChIKeyMUQTZKYPHPTQJQ-CQSZACIVSA-N
XLogP1.48
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmethyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[(3R)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmethyl]cyclopropane-1-carbonitrile (CID 129333815) is 1-[[(3R)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[(3R)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[(3R)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmethyl]cyclopropane-1-carbonitrile is Cc1ccc(O[C@@H]2CCN(S(=O)(=O)CC3(C#N)CC3)C2)cn1.
What is the InChIKey of 1-[[(3R)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmethyl]cyclopropane-1-carbonitrile?
The InChIKey is MUQTZKYPHPTQJQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-12-2-3-13(8-17-12)21-14-4-7-18(9-14)22(19,20)11-15(10-16)5-6-15/h2-3,8,14H,4-7,9,11H2,1H3/t14-/m1/s1.
What are the key properties of 1-[[(3R)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmethyl]cyclopropane-1-carbonitrile?
1-[[(3R)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmethyl]cyclopropane-1-carbonitrile has a molecular weight of 321.40 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 129333815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).