methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate

C13H20N2O4S2 — CID 103342854

IUPACmethyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N(C)Cc1csc(C)n1
InChIInChI=1S/C13H20N2O4S2/c1-9-14-10(8-20-9)7-15(2)21(17,18)12-6-4-5-11(12)13(16)19-3/h8,11-12H,4-7H2,1-3H3
InChIKeyPVUCFDXLXGRDGH-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.55
Rot. Bonds5

About methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103342854) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103342854
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Namemethyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N(C)Cc1csc(C)n1
InChIInChI=1S/C13H20N2O4S2/c1-9-14-10(8-20-9)7-15(2)21(17,18)12-6-4-5-11(12)13(16)19-3/h8,11-12H,4-7H2,1-3H3
InChIKeyPVUCFDXLXGRDGH-UHFFFAOYSA-N
XLogP1.55
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342230
methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343093
methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343467
1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide
CID 75476220
cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate
CID 100602479
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 47454541
methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate
CID 120875523
3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47455518
methyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342276
2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342818
methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate
CID 62013509
1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea
CID 110747823

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate (CID 103342854) is methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)N(C)Cc1csc(C)n1.
What is the InChIKey of methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is PVUCFDXLXGRDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-9-14-10(8-20-9)7-15(2)21(17,18)12-6-4-5-11(12)13(16)19-3/h8,11-12H,4-7H2,1-3H3.
What are the key properties of methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 332.45 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103342854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).