methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate

C13H19NO4S2 — CID 103343265

IUPACmethyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C13H19NO4S2/c1-9(11-6-4-8-19-11)14-20(16,17)12-7-3-5-10(12)13(15)18-2/h4,6,8-10,12,14H,3,5,7H2,1-2H3/t9-,10?,12?/m1/s1
InChIKeyOFOBVSAZRFILDA-GRZMOONWSA-N
MW317.43 g/mol
LogP2.07
Rot. Bonds5

About methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103343265) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103343265
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Namemethyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C13H19NO4S2/c1-9(11-6-4-8-19-11)14-20(16,17)12-7-3-5-10(12)13(15)18-2/h4,6,8-10,12,14H,3,5,7H2,1-2H3/t9-,10?,12?/m1/s1
InChIKeyOFOBVSAZRFILDA-GRZMOONWSA-N
XLogP2.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
(2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid
CID 122069343
methyl 2-(1-hydroxypropan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342399
methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103343173
methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 106543946
methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342142
methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342191
2-amino-N-(1-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64822918
methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342294
methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343368
methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103343483
methyl 2-[(6-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342271

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate (CID 103343265) is methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)N[C@H](C)c1cccs1.
What is the InChIKey of methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is OFOBVSAZRFILDA-GRZMOONWSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-9(11-6-4-8-19-11)14-20(16,17)12-7-3-5-10(12)13(15)18-2/h4,6,8-10,12,14H,3,5,7H2,1-2H3/t9-,10?,12?/m1/s1.
What are the key properties of methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103343265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).