2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine

C12H18N2O3S — CID 5268219

IUPAC2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C12H18N2O3S/c1-10(2)17-12-6-5-11(9-13-12)18(15,16)14-7-3-4-8-14/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyAKDAXEDMHPITSQ-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.65
Rot. Bonds4

About 2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine

2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine (PubChem CID 5268219) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine.

Molecular Properties

Compound Name2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine
PubChem CID5268219
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C12H18N2O3S/c1-10(2)17-12-6-5-11(9-13-12)18(15,16)14-7-3-4-8-14/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyAKDAXEDMHPITSQ-UHFFFAOYSA-N
XLogP1.65
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012
2-ethoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268013
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 55785725
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine
CID 75448158
1-ethyl-4-[[6-[(2R)-1-methoxypropan-2-yl]oxy-3-pyridinyl]sulfonyl]piperazine
CID 141059153
1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one
CID 69088398
4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24978821
(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methanamine
CID 114613060
2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine
CID 2538848
ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate
CID 25342701
methyl 2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoate
CID 42929024

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine?
The IUPAC name of 2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine (CID 5268219) is 2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine.
What is the SMILES notation for 2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine?
The canonical SMILES for 2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine is CC(C)Oc1ccc(S(=O)(=O)N2CCCC2)cn1.
What is the InChIKey of 2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine?
The InChIKey is AKDAXEDMHPITSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-10(2)17-12-6-5-11(9-13-12)18(15,16)14-7-3-4-8-14/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine?
2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine has a molecular weight of 270.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine is sourced from PubChem (CID 5268219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).