methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate

C12H24N2O4S — CID 103343240

IUPACmethyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate
SMILESCNCCCN(C)S(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C12H24N2O4S/c1-13-8-5-9-14(2)19(16,17)11-7-4-6-10(11)12(15)18-3/h10-11,13H,4-9H2,1-3H3
InChIKeyMUCWXFYMONHWFG-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.20
Rot. Bonds7

About methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103343240) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103343240
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Namemethyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate
SMILESCNCCCN(C)S(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C12H24N2O4S/c1-13-8-5-9-14(2)19(16,17)11-7-4-6-10(11)12(15)18-3/h10-11,13H,4-9H2,1-3H3
InChIKeyMUCWXFYMONHWFG-UHFFFAOYSA-N
XLogP0.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.20
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

cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate
CID 100602479
methyl 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342722
methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343467
methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342230
methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342825
methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate
CID 120875523
methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342605
methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342175
methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103342854
methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343093
trans-methyl (1R,2S)-2-chlorosulfonylcyclopentane-1-carboxylate
CID 98115809

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate (CID 103343240) is methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate is CNCCCN(C)S(=O)(=O)C1CCCC1C(=O)OC.
What is the InChIKey of methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is MUCWXFYMONHWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-13-8-5-9-14(2)19(16,17)11-7-4-6-10(11)12(15)18-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 292.40 g/mol, XLogP of 0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103343240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).