methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate

C13H18N2O4S — CID 115617333

IUPACmethyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NS(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C13H18N2O4S/c1-19-13(16)10-4-6-11(7-5-10)15-20(17,18)12-3-2-8-14-9-12/h2-3,8-11,15H,4-7H2,1H3
InChIKeyLBAWZGYGZQXOHT-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.09
Rot. Bonds4

About methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate

methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate (PubChem CID 115617333) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate
PubChem CID115617333
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Namemethyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NS(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C13H18N2O4S/c1-19-13(16)10-4-6-11(7-5-10)15-20(17,18)12-3-2-8-14-9-12/h2-3,8-11,15H,4-7H2,1H3
InChIKeyLBAWZGYGZQXOHT-UHFFFAOYSA-N
XLogP1.09
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115617309
methyl 4-[(2-chloro-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115641381
N-(4-cyanocyclohexyl)pyridine-3-sulfonamide
CID 116816994
3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55145962
methyl 4-[[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58291840
methyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58292157
methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58291888
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide
CID 130233502
methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate
CID 104710389
methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate
CID 67421433
N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 47331340
5-(pyridin-3-ylsulfonylamino)piperidine-3-carboxylic acid
CID 69069584

Frequently Asked Questions

What is the IUPAC name of methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate (CID 115617333) is methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate is COC(=O)C1CCC(NS(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate?
The InChIKey is LBAWZGYGZQXOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-19-13(16)10-4-6-11(7-5-10)15-20(17,18)12-3-2-8-14-9-12/h2-3,8-11,15H,4-7H2,1H3.
What are the key properties of methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate?
methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate has a molecular weight of 298.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 115617333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).