N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide

C12H18N2O3S — CID 106001152

IUPACN-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(CO)cn1)C1CC1
InChIInChI=1S/C12H18N2O3S/c1-12(2,10-4-5-10)14-18(16,17)11-6-3-9(8-15)7-13-11/h3,6-7,10,14-15H,4-5,8H2,1-2H3
InChIKeyJTCZKCCDMLOWFH-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.04
Rot. Bonds5

About N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide

N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide (PubChem CID 106001152) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide
PubChem CID106001152
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(CO)cn1)C1CC1
InChIInChI=1S/C12H18N2O3S/c1-12(2,10-4-5-10)14-18(16,17)11-6-3-9(8-15)7-13-11/h3,6-7,10,14-15H,4-5,8H2,1-2H3
InChIKeyJTCZKCCDMLOWFH-UHFFFAOYSA-N
XLogP1.04
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide
CID 106001141
5-(hydroxymethyl)-N-(3-methylcyclopentyl)pyridine-2-sulfonamide
CID 114551682
5-(hydroxymethyl)-N-(2-methyloxolan-3-yl)pyridine-2-sulfonamide
CID 114135348
5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide
CID 106000954
5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide
CID 106031617
[6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-pyridinyl]methanol
CID 104969057
5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide
CID 54857460
N-(2-ethoxyethyl)-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 114132074
5-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-sulfonamide
CID 106080557
5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide
CID 106000682
N-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 106014046
5-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 106283934

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide (CID 106001152) is N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide is CC(C)(NS(=O)(=O)c1ccc(CO)cn1)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide?
The InChIKey is JTCZKCCDMLOWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(2,10-4-5-10)14-18(16,17)11-6-3-9(8-15)7-13-11/h3,6-7,10,14-15H,4-5,8H2,1-2H3.
What are the key properties of N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide?
N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106001152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).