methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate

C15H27NO4S — CID 103342175

IUPACmethyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCCN(C1CCCCC1)S(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C15H27NO4S/c1-3-16(12-8-5-4-6-9-12)21(18,19)14-11-7-10-13(14)15(17)20-2/h12-14H,3-11H2,1-2H3
InChIKeyABORXKVYUTZFET-UHFFFAOYSA-N
MW317.45 g/mol
LogP2.31
Rot. Bonds5

About methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103342175) has the molecular formula C15H27NO4S and a molecular weight of 317.45 g/mol. Its IUPAC name is methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103342175
Molecular FormulaC15H27NO4S
Molecular Weight317.45 g/mol
Exact Mass317.17
IUPAC Namemethyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCCN(C1CCCCC1)S(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C15H27NO4S/c1-3-16(12-8-5-4-6-9-12)21(18,19)14-11-7-10-13(14)15(17)20-2/h12-14H,3-11H2,1-2H3
InChIKeyABORXKVYUTZFET-UHFFFAOYSA-N
XLogP2.31
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343312
methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343467
2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342770
methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342825
methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate
CID 103342256
trans-methyl (1R,2S)-2-chlorosulfonylcyclopentane-1-carboxylate
CID 98115809
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182
methyl 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342722
methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342605
methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103343240
methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate
CID 120875523
methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342230

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103342175) is methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate is CCN(C1CCCCC1)S(=O)(=O)C1CCCC1C(=O)OC.
What is the InChIKey of methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is ABORXKVYUTZFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4S/c1-3-16(12-8-5-4-6-9-12)21(18,19)14-11-7-10-13(14)15(17)20-2/h12-14H,3-11H2,1-2H3.
What are the key properties of methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 317.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103342175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).