3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid

C10H20N2O4S2 — CID 114122704

IUPAC3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid
SMILESCSC1CCC(NS(=O)(=O)N(C)CCC(=O)O)C1
InChIInChI=1S/C10H20N2O4S2/c1-12(6-5-10(13)14)18(15,16)11-8-3-4-9(7-8)17-2/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeySZPGTHFMXRCPLF-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.51
Rot. Bonds7

About 3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid

3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid (PubChem CID 114122704) has the molecular formula C10H20N2O4S2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid
PubChem CID114122704
Molecular FormulaC10H20N2O4S2
Molecular Weight296.41 g/mol
Exact Mass296.09
IUPAC Name3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid
SMILESCSC1CCC(NS(=O)(=O)N(C)CCC(=O)O)C1
InChIInChI=1S/C10H20N2O4S2/c1-12(6-5-10(13)14)18(15,16)11-8-3-4-9(7-8)17-2/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeySZPGTHFMXRCPLF-UHFFFAOYSA-N
XLogP0.51
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane
CID 106092201
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane
CID 114142578
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclohexane
CID 106091345
N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
CID 103697967
4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid
CID 114122691
2-[(3-methylsulfanylcyclopentyl)carbamoyl-propylamino]acetic acid
CID 114124070
2-[(3-methylsulfanylcyclopentyl)amino]-2-oxoacetic acid
CID 104768128
6-[(4-methylsulfanylcyclohexyl)amino]-6-oxohexanoic acid
CID 114122613
1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide
CID 106092181
acetic acid;4-[2-[cyclopropylsulfamoyl(methyl)amino]ethyl]piperidine
CID 70550668
1-(methylamino)-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide
CID 106092221
3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106001719

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid (CID 114122704) is 3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid is CSC1CCC(NS(=O)(=O)N(C)CCC(=O)O)C1.
What is the InChIKey of 3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid?
The InChIKey is SZPGTHFMXRCPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S2/c1-12(6-5-10(13)14)18(15,16)11-8-3-4-9(7-8)17-2/h8-9,11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid?
3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid has a molecular weight of 296.41 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid is sourced from PubChem (CID 114122704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).