N-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide

C14H22N2O3S — CID 71969784

IUPACN-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide
SMILESCOCCC1(CNS(=O)(=O)c2cccnc2)CCCC1
InChIInChI=1S/C14H22N2O3S/c1-19-10-8-14(6-2-3-7-14)12-16-20(17,18)13-5-4-9-15-11-13/h4-5,9,11,16H,2-3,6-8,10,12H2,1H3
InChIKeyIDYUWNQNWVLWHM-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.96
Rot. Bonds7

About N-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide

N-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide (PubChem CID 71969784) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide
PubChem CID71969784
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide
SMILESCOCCC1(CNS(=O)(=O)c2cccnc2)CCCC1
InChIInChI=1S/C14H22N2O3S/c1-19-10-8-14(6-2-3-7-14)12-16-20(17,18)13-5-4-9-15-11-13/h4-5,9,11,16H,2-3,6-8,10,12H2,1H3
InChIKeyIDYUWNQNWVLWHM-UHFFFAOYSA-N
XLogP1.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide (CID 71969784) is N-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide is COCCC1(CNS(=O)(=O)c2cccnc2)CCCC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide?
The InChIKey is IDYUWNQNWVLWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-19-10-8-14(6-2-3-7-14)12-16-20(17,18)13-5-4-9-15-11-13/h4-5,9,11,16H,2-3,6-8,10,12H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide?
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 71969784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).