2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide

C16H25N3O4S — CID 131962123

IUPAC2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide
SMILESCOC(CS(=O)(=O)Nc1cnccc1N1CCCC1)C1CCOC1
InChIInChI=1S/C16H25N3O4S/c1-22-16(13-5-9-23-11-13)12-24(20,21)18-14-10-17-6-4-15(14)19-7-2-3-8-19/h4,6,10,13,16,18H,2-3,5,7-9,11-12H2,1H3
InChIKeyPEDOULSBQAOQCC-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.48
Rot. Bonds7

About 2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide

2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide (PubChem CID 131962123) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide
PubChem CID131962123
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide
SMILESCOC(CS(=O)(=O)Nc1cnccc1N1CCCC1)C1CCOC1
InChIInChI=1S/C16H25N3O4S/c1-22-16(13-5-9-23-11-13)12-24(20,21)18-14-10-17-6-4-15(14)19-7-2-3-8-19/h4,6,10,13,16,18H,2-3,5,7-9,11-12H2,1H3
InChIKeyPEDOULSBQAOQCC-UHFFFAOYSA-N
XLogP1.48
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide?
The IUPAC name of 2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide (CID 131962123) is 2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide.
What is the SMILES notation for 2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide?
The canonical SMILES for 2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide is COC(CS(=O)(=O)Nc1cnccc1N1CCCC1)C1CCOC1.
What is the InChIKey of 2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide?
The InChIKey is PEDOULSBQAOQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-22-16(13-5-9-23-11-13)12-24(20,21)18-14-10-17-6-4-15(14)19-7-2-3-8-19/h4,6,10,13,16,18H,2-3,5,7-9,11-12H2,1H3.
What are the key properties of 2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide?
2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 131962123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).