methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate

C10H19NO4S — CID 103342116

IUPACmethyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NC(C)C
InChIInChI=1S/C10H19NO4S/c1-7(2)11-16(13,14)9-6-4-5-8(9)10(12)15-3/h7-9,11H,4-6H2,1-3H3
InChIKeyVFCWGAMZIBXTHM-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.66
Rot. Bonds4

About methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate

methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate (PubChem CID 103342116) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
PubChem CID103342116
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Namemethyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NC(C)C
InChIInChI=1S/C10H19NO4S/c1-7(2)11-16(13,14)9-6-4-5-8(9)10(12)15-3/h7-9,11H,4-6H2,1-3H3
InChIKeyVFCWGAMZIBXTHM-UHFFFAOYSA-N
XLogP0.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-hydroxypropan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342399
methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342807
methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 106543946
methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103343265
methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103343483
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-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343368
(2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid
CID 122069343
methyl 2-(2-cyclopropylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343145

Frequently Asked Questions

What is the IUPAC name of methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate (CID 103342116) is methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NC(C)C.
What is the InChIKey of methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate?
The InChIKey is VFCWGAMZIBXTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-7(2)11-16(13,14)9-6-4-5-8(9)10(12)15-3/h7-9,11H,4-6H2,1-3H3.
What are the key properties of methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate?
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate has a molecular weight of 249.33 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 103342116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).