5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine

C16H23ClN2O3S — CID 124783682

IUPAC5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine
SMILESCS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCCN(C[C@H]2CCOC2)C1
InChIInChI=1S/C16H23ClN2O3S/c1-23(20,21)15-7-14(17)8-18-16(15)13-3-2-5-19(10-13)9-12-4-6-22-11-12/h7-8,12-13H,2-6,9-11H2,1H3/t12-,13-/m1/s1
InChIKeySBCLPCGVKDQZDE-CHWSQXEVSA-N
MW358.89 g/mol
LogP2.35
Rot. Bonds4

About 5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine

5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine (PubChem CID 124783682) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is 5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine.

Molecular Properties

Compound Name5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine
PubChem CID124783682
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine
SMILESCS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCCN(C[C@H]2CCOC2)C1
InChIInChI=1S/C16H23ClN2O3S/c1-23(20,21)15-7-14(17)8-18-16(15)13-3-2-5-19(10-13)9-12-4-6-22-11-12/h7-8,12-13H,2-6,9-11H2,1H3/t12-,13-/m1/s1
InChIKeySBCLPCGVKDQZDE-CHWSQXEVSA-N
XLogP2.35
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine?
The IUPAC name of 5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine (CID 124783682) is 5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine.
What is the SMILES notation for 5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine?
The canonical SMILES for 5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine is CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCCN(C[C@H]2CCOC2)C1.
What is the InChIKey of 5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine?
The InChIKey is SBCLPCGVKDQZDE-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-23(20,21)15-7-14(17)8-18-16(15)13-3-2-5-19(10-13)9-12-4-6-22-11-12/h7-8,12-13H,2-6,9-11H2,1H3/t12-,13-/m1/s1.
What are the key properties of 5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine?
5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine has a molecular weight of 358.89 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine is sourced from PubChem (CID 124783682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).