N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide

C12H18N2O4S — CID 114951121

IUPACN-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H18N2O4S/c1-14(9-12(16)6-2-3-7-12)19(17,18)10-4-5-11(15)13-8-10/h4-5,8,16H,2-3,6-7,9H2,1H3,(H,13,15)
InChIKeyQFNTUFQUCDHMIK-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.30
Rot. Bonds4

About N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide

N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 114951121) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID114951121
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H18N2O4S/c1-14(9-12(16)6-2-3-7-12)19(17,18)10-4-5-11(15)13-8-10/h4-5,8,16H,2-3,6-7,9H2,1H3,(H,13,15)
InChIKeyQFNTUFQUCDHMIK-UHFFFAOYSA-N
XLogP0.30
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide (CID 114951121) is N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide is CN(CC1(O)CCCC1)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is QFNTUFQUCDHMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-14(9-12(16)6-2-3-7-12)19(17,18)10-4-5-11(15)13-8-10/h4-5,8,16H,2-3,6-7,9H2,1H3,(H,13,15).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 286.35 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 114951121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).