methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate

C14H27NO5S — CID 103342825

IUPACmethyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCCC(CC)N(CCO)S(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C14H27NO5S/c1-4-11(5-2)15(9-10-16)21(18,19)13-8-6-7-12(13)14(17)20-3/h11-13,16H,4-10H2,1-3H3
InChIKeyWNJSKUDBYJWLBM-UHFFFAOYSA-N
MW321.44 g/mol
LogP1.14
Rot. Bonds8

About methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103342825) has the molecular formula C14H27NO5S and a molecular weight of 321.44 g/mol. Its IUPAC name is methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103342825
Molecular FormulaC14H27NO5S
Molecular Weight321.44 g/mol
Exact Mass321.16
IUPAC Namemethyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCCC(CC)N(CCO)S(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C14H27NO5S/c1-4-11(5-2)15(9-10-16)21(18,19)13-8-6-7-12(13)14(17)20-3/h11-13,16H,4-10H2,1-3H3
InChIKeyWNJSKUDBYJWLBM-UHFFFAOYSA-N
XLogP1.14
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342722
methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342175
methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343467
methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103343240
2-[2-methylpropyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103343203
methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343233
methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342605
methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182
trans-methyl (1R,2S)-2-chlorosulfonylcyclopentane-1-carboxylate
CID 98115809
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate (CID 103342825) is methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate is CCC(CC)N(CCO)S(=O)(=O)C1CCCC1C(=O)OC.
What is the InChIKey of methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is WNJSKUDBYJWLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5S/c1-4-11(5-2)15(9-10-16)21(18,19)13-8-6-7-12(13)14(17)20-3/h11-13,16H,4-10H2,1-3H3.
What are the key properties of methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 321.44 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103342825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).