methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate

C13H25NO4S2 — CID 103343483

IUPACmethyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate
SMILESCCSCCC(C)NS(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C13H25NO4S2/c1-4-19-9-8-10(2)14-20(16,17)12-7-5-6-11(12)13(15)18-3/h10-12,14H,4-9H2,1-3H3
InChIKeyPYRGFGLMUPNQQH-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.78
Rot. Bonds8

About methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate

methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate (PubChem CID 103343483) has the molecular formula C13H25NO4S2 and a molecular weight of 323.48 g/mol. Its IUPAC name is methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate
PubChem CID103343483
Molecular FormulaC13H25NO4S2
Molecular Weight323.48 g/mol
Exact Mass323.12
IUPAC Namemethyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate
SMILESCCSCCC(C)NS(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C13H25NO4S2/c1-4-19-9-8-10(2)14-20(16,17)12-7-5-6-11(12)13(15)18-3/h10-12,14H,4-9H2,1-3H3
InChIKeyPYRGFGLMUPNQQH-UHFFFAOYSA-N
XLogP1.78
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(1-hydroxypropan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342399
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342807
methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 106543946
methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343233
methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343206
methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
(2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid
CID 122069343
trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 99794576
methyl 2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylate
CID 103343391
methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate
CID 106835677
methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103343265

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate (CID 103343483) is methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate is CCSCCC(C)NS(=O)(=O)C1CCCC1C(=O)OC.
What is the InChIKey of methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate?
The InChIKey is PYRGFGLMUPNQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4S2/c1-4-19-9-8-10(2)14-20(16,17)12-7-5-6-11(12)13(15)18-3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate?
methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate has a molecular weight of 323.48 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 103343483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).