methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate

C14H19NO4S2 — CID 103342250

IUPACmethyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C14H19NO4S2/c1-19-14(16)12-4-3-5-13(12)21(17,18)15-10-6-8-11(20-2)9-7-10/h6-9,12-13,15H,3-5H2,1-2H3
InChIKeyFNNWFFSEOBTSMZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.49
Rot. Bonds5

About methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103342250) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103342250
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Namemethyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C14H19NO4S2/c1-19-14(16)12-4-3-5-13(12)21(17,18)15-10-6-8-11(20-2)9-7-10/h6-9,12-13,15H,3-5H2,1-2H3
InChIKeyFNNWFFSEOBTSMZ-UHFFFAOYSA-N
XLogP2.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342142
methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103343173
methyl 2-[(6-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342271
methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342191
methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342272
methyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343319
methyl 2-[(5-bromo-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342296
methyl 2-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342312
methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342269
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343259
(2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid
CID 122069343

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103342250) is methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)Nc1ccc(SC)cc1.
What is the InChIKey of methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is FNNWFFSEOBTSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c1-19-14(16)12-4-3-5-13(12)21(17,18)15-10-6-8-11(20-2)9-7-10/h6-9,12-13,15H,3-5H2,1-2H3.
What are the key properties of methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 329.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103342250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).