methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate

C13H25NO5S — CID 103343233

IUPACmethyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCCC(CCO)CNS(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C13H25NO5S/c1-3-10(7-8-15)9-14-20(17,18)12-6-4-5-11(12)13(16)19-2/h10-12,14-15H,3-9H2,1-2H3
InChIKeyXGCOXOVKHYDUFV-UHFFFAOYSA-N
MW307.41 g/mol
LogP0.66
Rot. Bonds8

About methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103343233) has the molecular formula C13H25NO5S and a molecular weight of 307.41 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103343233
Molecular FormulaC13H25NO5S
Molecular Weight307.41 g/mol
Exact Mass307.15
IUPAC Namemethyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCCC(CCO)CNS(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C13H25NO5S/c1-3-10(7-8-15)9-14-20(17,18)12-6-4-5-11(12)13(16)19-2/h10-12,14-15H,3-9H2,1-2H3
InChIKeyXGCOXOVKHYDUFV-UHFFFAOYSA-N
XLogP0.66
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343206
methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 106543946
methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]cyclopentane-1-carboxylate
CID 106543941
2-[[(2-methoxycarbonylcyclohexyl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660593
methyl 2-(2-cyanopropylsulfamoyl)cyclohexane-1-carboxylate
CID 75455830
trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 99794576
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-(1-hydroxypropan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342399
methyl 2-(2-cyclopropylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343145
methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342807
methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342825

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103343233) is methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate is CCC(CCO)CNS(=O)(=O)C1CCCC1C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is XGCOXOVKHYDUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5S/c1-3-10(7-8-15)9-14-20(17,18)12-6-4-5-11(12)13(16)19-2/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 307.41 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103343233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).