methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate

C14H23NO4S — CID 103342807

IUPACmethyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C14H23NO4S/c1-19-14(16)11-3-2-4-12(11)20(17,18)15-13(9-5-6-9)10-7-8-10/h9-13,15H,2-8H2,1H3
InChIKeyKABQZDZLNQDFFX-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.44
Rot. Bonds6

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

methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate (PubChem CID 103342807) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate
PubChem CID103342807
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Namemethyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C14H23NO4S/c1-19-14(16)11-3-2-4-12(11)20(17,18)15-13(9-5-6-9)10-7-8-10/h9-13,15H,2-8H2,1H3
InChIKeyKABQZDZLNQDFFX-UHFFFAOYSA-N
XLogP1.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-(1-hydroxypropan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342399
methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 106543946
(2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid
CID 122069343
methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103343483
methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate
CID 103342256
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182
trans-methyl (1R,2S)-2-chlorosulfonylcyclopentane-1-carboxylate
CID 98115809
methyl 2-(2-cyclopropylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343145
methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343206
methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343368

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate (CID 103342807) is methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NC(C1CC1)C1CC1.
What is the InChIKey of methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate?
The InChIKey is KABQZDZLNQDFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-19-14(16)11-3-2-4-12(11)20(17,18)15-13(9-5-6-9)10-7-8-10/h9-13,15H,2-8H2,1H3.
What are the key properties of methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate?
methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate has a molecular weight of 301.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 103342807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).