methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate

C13H25NO5S — CID 106543946

IUPACmethyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NC(CCO)C(C)C
InChIInChI=1S/C13H25NO5S/c1-9(2)11(7-8-15)14-20(17,18)12-6-4-5-10(12)13(16)19-3/h9-12,14-15H,4-8H2,1-3H3
InChIKeyHBALQEUHMIFRGV-UHFFFAOYSA-N
MW307.41 g/mol
LogP0.65
Rot. Bonds7

About methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 106543946) has the molecular formula C13H25NO5S and a molecular weight of 307.41 g/mol. Its IUPAC name is methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID106543946
Molecular FormulaC13H25NO5S
Molecular Weight307.41 g/mol
Exact Mass307.15
IUPAC Namemethyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NC(CCO)C(C)C
InChIInChI=1S/C13H25NO5S/c1-9(2)11(7-8-15)14-20(17,18)12-6-4-5-10(12)13(16)19-3/h9-12,14-15H,4-8H2,1-3H3
InChIKeyHBALQEUHMIFRGV-UHFFFAOYSA-N
XLogP0.65
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342807
methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343233
methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103343483
methyl 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342722
(2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid
CID 122069343
methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103343265
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate (CID 106543946) is methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NC(CCO)C(C)C.
What is the InChIKey of methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is HBALQEUHMIFRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5S/c1-9(2)11(7-8-15)14-20(17,18)12-6-4-5-10(12)13(16)19-3/h9-12,14-15H,4-8H2,1-3H3.
What are the key properties of methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 307.41 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 106543946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).