[5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl]-(2,2-dimethylpyrrolidin-1-yl)methanone

C19H28N2O3S — CID 90203535

IUPAC[5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl]-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCC(C)CS(=O)(=O)c1nc(C(=O)N2CCCC2(C)C)ccc1C1CC1
InChIInChI=1S/C19H28N2O3S/c1-13(2)12-25(23,24)17-15(14-6-7-14)8-9-16(20-17)18(22)21-11-5-10-19(21,3)4/h8-9,13-14H,5-7,10-12H2,1-4H3
InChIKeyBXZTWBCEYBQIKM-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.40
Rot. Bonds5

About [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl]-(2,2-dimethylpyrrolidin-1-yl)methanone

[5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl]-(2,2-dimethylpyrrolidin-1-yl)methanone (PubChem CID 90203535) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl]-(2,2-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl]-(2,2-dimethylpyrrolidin-1-yl)methanone
PubChem CID90203535
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name[5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl]-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCC(C)CS(=O)(=O)c1nc(C(=O)N2CCCC2(C)C)ccc1C1CC1
InChIInChI=1S/C19H28N2O3S/c1-13(2)12-25(23,24)17-15(14-6-7-14)8-9-16(20-17)18(22)21-11-5-10-19(21,3)4/h8-9,13-14H,5-7,10-12H2,1-4H3
InChIKeyBXZTWBCEYBQIKM-UHFFFAOYSA-N
XLogP3.40
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl]-(2,2-dimethylpyrrolidin-1-yl)methanone (CID 90203535) is [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl]-(2,2-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl]-(2,2-dimethylpyrrolidin-1-yl)methanone is CC(C)CS(=O)(=O)c1nc(C(=O)N2CCCC2(C)C)ccc1C1CC1.
What is the InChIKey of [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is BXZTWBCEYBQIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-13(2)12-25(23,24)17-15(14-6-7-14)8-9-16(20-17)18(22)21-11-5-10-19(21,3)4/h8-9,13-14H,5-7,10-12H2,1-4H3.
What are the key properties of [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
[5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl]-(2,2-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 364.51 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl]-(2,2-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 90203535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).