2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine

C19H30N2O4S — CID 133453237

IUPAC2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCC(OCC3CCOC3)CC2)cn1
InChIInChI=1S/C19H30N2O4S/c1-19(2,3)26(22,23)18-5-4-16(12-20-18)21-9-6-17(7-10-21)25-14-15-8-11-24-13-15/h4-5,12,15,17H,6-11,13-14H2,1-3H3
InChIKeyHUMHSSBCTXKTGU-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.68
Rot. Bonds5

About 2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine

2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine (PubChem CID 133453237) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine
PubChem CID133453237
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCC(OCC3CCOC3)CC2)cn1
InChIInChI=1S/C19H30N2O4S/c1-19(2,3)26(22,23)18-5-4-16(12-20-18)21-9-6-17(7-10-21)25-14-15-8-11-24-13-15/h4-5,12,15,17H,6-11,13-14H2,1-3H3
InChIKeyHUMHSSBCTXKTGU-UHFFFAOYSA-N
XLogP2.68
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine?
The IUPAC name of 2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine (CID 133453237) is 2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine.
What is the SMILES notation for 2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine?
The canonical SMILES for 2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine is CC(C)(C)S(=O)(=O)c1ccc(N2CCC(OCC3CCOC3)CC2)cn1.
What is the InChIKey of 2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine?
The InChIKey is HUMHSSBCTXKTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-19(2,3)26(22,23)18-5-4-16(12-20-18)21-9-6-17(7-10-21)25-14-15-8-11-24-13-15/h4-5,12,15,17H,6-11,13-14H2,1-3H3.
What are the key properties of 2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine?
2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine has a molecular weight of 382.53 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine is sourced from PubChem (CID 133453237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).