6-cyclopentyloxypyridine-3-sulfonic acid;hydrochloride

C10H14ClNO4S — CID 174926588

IUPAC6-cyclopentyloxypyridine-3-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)c1ccc(OC2CCCC2)nc1
InChIInChI=1S/C10H13NO4S.ClH/c12-16(13,14)9-5-6-10(11-7-9)15-8-3-1-2-4-8;/h5-8H,1-4H2,(H,12,13,14);1H
InChIKeyVHBFOQBAKUKQDQ-UHFFFAOYSA-N
MW279.74 g/mol
LogP2.07
Rot. Bonds3

About 6-cyclopentyloxypyridine-3-sulfonic acid;hydrochloride

6-cyclopentyloxypyridine-3-sulfonic acid;hydrochloride (PubChem CID 174926588) has the molecular formula C10H14ClNO4S and a molecular weight of 279.74 g/mol. Its IUPAC name is 6-cyclopentyloxypyridine-3-sulfonic acid;hydrochloride.

Molecular Properties

Compound Name6-cyclopentyloxypyridine-3-sulfonic acid;hydrochloride
PubChem CID174926588
Molecular FormulaC10H14ClNO4S
Molecular Weight279.74 g/mol
Exact Mass279.03
IUPAC Name6-cyclopentyloxypyridine-3-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)c1ccc(OC2CCCC2)nc1
InChIInChI=1S/C10H13NO4S.ClH/c12-16(13,14)9-5-6-10(11-7-9)15-8-3-1-2-4-8;/h5-8H,1-4H2,(H,12,13,14);1H
InChIKeyVHBFOQBAKUKQDQ-UHFFFAOYSA-N
XLogP2.07
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

6-cyclopropyloxypyridine-3-sulfonyl chloride
CID 130116328
4-[4-[(5-methylsulfonyl-2-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224944
2-cyclohexyloxy-5-methoxypyridine
CID 170010378
1-(6-cyclopentyloxy-3-pyridinyl)piperazine
CID 68513271
tert-butyl 4-[4-[(5-methylsulfonyl-2-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate
CID 67449879
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine
CID 110916197
1-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-methyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111614773
6-cyclobutyloxy-N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)pyridine-3-sulfonamide
CID 130246088
6-(2-ethylcyclohexyl)oxypyridine-3-sulfonamide
CID 112572614
1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515066
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide
CID 55939369

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxypyridine-3-sulfonic acid;hydrochloride?
The IUPAC name of 6-cyclopentyloxypyridine-3-sulfonic acid;hydrochloride (CID 174926588) is 6-cyclopentyloxypyridine-3-sulfonic acid;hydrochloride.
What is the SMILES notation for 6-cyclopentyloxypyridine-3-sulfonic acid;hydrochloride?
The canonical SMILES for 6-cyclopentyloxypyridine-3-sulfonic acid;hydrochloride is Cl.O=S(=O)(O)c1ccc(OC2CCCC2)nc1.
What is the InChIKey of 6-cyclopentyloxypyridine-3-sulfonic acid;hydrochloride?
The InChIKey is VHBFOQBAKUKQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S.ClH/c12-16(13,14)9-5-6-10(11-7-9)15-8-3-1-2-4-8;/h5-8H,1-4H2,(H,12,13,14);1H.
What are the key properties of 6-cyclopentyloxypyridine-3-sulfonic acid;hydrochloride?
6-cyclopentyloxypyridine-3-sulfonic acid;hydrochloride has a molecular weight of 279.74 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxypyridine-3-sulfonic acid;hydrochloride is sourced from PubChem (CID 174926588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).