2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride

C15H22ClNO3S — CID 115928448

IUPAC2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride
SMILESCC1CCC(C(C)C)C(Oc2ncccc2S(=O)(=O)Cl)C1
InChIInChI=1S/C15H22ClNO3S/c1-10(2)12-7-6-11(3)9-13(12)20-15-14(21(16,18)19)5-4-8-17-15/h4-5,8,10-13H,6-7,9H2,1-3H3
InChIKeySADQVFLZZSTSRO-UHFFFAOYSA-N
MW331.87 g/mol
LogP3.85
Rot. Bonds4

About 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride

2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride (PubChem CID 115928448) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride
PubChem CID115928448
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride
SMILESCC1CCC(C(C)C)C(Oc2ncccc2S(=O)(=O)Cl)C1
InChIInChI=1S/C15H22ClNO3S/c1-10(2)12-7-6-11(3)9-13(12)20-15-14(21(16,18)19)5-4-8-17-15/h4-5,8,10-13H,6-7,9H2,1-3H3
InChIKeySADQVFLZZSTSRO-UHFFFAOYSA-N
XLogP3.85
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine
CID 63446048
2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride
CID 112572932
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid
CID 63072753
6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine
CID 43330212
(5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 104743106
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] benzenesulfonate
CID 11033794
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carbothioamide
CID 62895472
(5-methyl-2-propan-2-ylcyclohexyl) 4-methylbenzenesulfonate
CID 586629
2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride
CID 112573083
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyfuran
CID 71368513
5-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2-carboxylic acid
CID 114408588
2-(2-methylcyclohexyl)oxypyridine-3-sulfonamide
CID 112572937

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride?
The IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride (CID 115928448) is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride is CC1CCC(C(C)C)C(Oc2ncccc2S(=O)(=O)Cl)C1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride?
The InChIKey is SADQVFLZZSTSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-10(2)12-7-6-11(3)9-13(12)20-15-14(21(16,18)19)5-4-8-17-15/h4-5,8,10-13H,6-7,9H2,1-3H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride?
2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride has a molecular weight of 331.87 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 115928448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).