[1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate

C12H16N2O4S — CID 57222723

IUPAC[1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate
SMILESO=COC1(NS(=O)(=O)c2cccnc2)CCCCC1
InChIInChI=1S/C12H16N2O4S/c15-10-18-12(6-2-1-3-7-12)14-19(16,17)11-5-4-8-13-9-11/h4-5,8-10,14H,1-3,6-7H2
InChIKeyLQUACOKADLYNNN-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.19
Rot. Bonds5

About [1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate

[1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate (PubChem CID 57222723) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is [1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate.

Molecular Properties

Compound Name[1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate
PubChem CID57222723
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name[1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate
SMILESO=COC1(NS(=O)(=O)c2cccnc2)CCCCC1
InChIInChI=1S/C12H16N2O4S/c15-10-18-12(6-2-1-3-7-12)14-19(16,17)11-5-4-8-13-9-11/h4-5,8-10,14H,1-3,6-7H2
InChIKeyLQUACOKADLYNNN-UHFFFAOYSA-N
XLogP1.19
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(pyridin-3-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61125063
N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide
CID 47331328
1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309102
N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride
CID 120607244
N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342
N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide
CID 71997395
2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364
1-methyl-2-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 83214671
N-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide
CID 61124758
1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
CID 139006914
N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720795
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]pyridine-3-sulfonamide
CID 90581181

Frequently Asked Questions

What is the IUPAC name of [1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate?
The IUPAC name of [1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate (CID 57222723) is [1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate.
What is the SMILES notation for [1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate?
The canonical SMILES for [1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate is O=COC1(NS(=O)(=O)c2cccnc2)CCCCC1.
What is the InChIKey of [1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate?
The InChIKey is LQUACOKADLYNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c15-10-18-12(6-2-1-3-7-12)14-19(16,17)11-5-4-8-13-9-11/h4-5,8-10,14H,1-3,6-7H2.
What are the key properties of [1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate?
[1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate has a molecular weight of 284.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate is sourced from PubChem (CID 57222723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).