methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate

C15H27NO4S — CID 103342256

IUPACmethyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C15H27NO4S/c1-20-15(17)13-10-7-11-14(13)21(18,19)16-12-8-5-3-2-4-6-9-12/h12-14,16H,2-11H2,1H3
InChIKeyLQVWIYLKZMMCQG-UHFFFAOYSA-N
MW317.45 g/mol
LogP2.36
Rot. Bonds4

About methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate

methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate (PubChem CID 103342256) has the molecular formula C15H27NO4S and a molecular weight of 317.45 g/mol. Its IUPAC name is methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate
PubChem CID103342256
Molecular FormulaC15H27NO4S
Molecular Weight317.45 g/mol
Exact Mass317.17
IUPAC Namemethyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C15H27NO4S/c1-20-15(17)13-10-7-11-14(13)21(18,19)16-12-8-5-3-2-4-6-9-12/h12-14,16H,2-11H2,1H3
InChIKeyLQVWIYLKZMMCQG-UHFFFAOYSA-N
XLogP2.36
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride
CID 120874430
methyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate
CID 120876444
methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343368
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
trans-methyl (1R,2S)-2-chlorosulfonylcyclopentane-1-carboxylate
CID 98115809
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182
methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342807
methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342193
2,3-bis(methoxycarbonyl)cyclohexane-1-sulfonic acid
CID 134222553
methyl 2-(2-cyclopropylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343145
methyl 2-(1-hydroxypropan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342399

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate (CID 103342256) is methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NC1CCCCCCC1.
What is the InChIKey of methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate?
The InChIKey is LQVWIYLKZMMCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4S/c1-20-15(17)13-10-7-11-14(13)21(18,19)16-12-8-5-3-2-4-6-9-12/h12-14,16H,2-11H2,1H3.
What are the key properties of methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate?
methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate has a molecular weight of 317.45 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 103342256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).