2-[2-methylpropyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylic acid

C15H29NO4S — CID 103343203

IUPAC2-[2-methylpropyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C15H29NO4S/c1-5-12(6-2)16(10-11(3)4)21(19,20)14-9-7-8-13(14)15(17)18/h11-14H,5-10H2,1-4H3,(H,17,18)
InChIKeyCLTRIVGBSBKTKW-UHFFFAOYSA-N
MW319.47 g/mol
LogP2.72
Rot. Bonds8

About 2-[2-methylpropyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylic acid

2-[2-methylpropyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103343203) has the molecular formula C15H29NO4S and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-[2-methylpropyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylic acid
PubChem CID103343203
Molecular FormulaC15H29NO4S
Molecular Weight319.47 g/mol
Exact Mass319.18
IUPAC Name2-[2-methylpropyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C15H29NO4S/c1-5-12(6-2)16(10-11(3)4)21(19,20)14-9-7-8-13(14)15(17)18/h11-14H,5-10H2,1-4H3,(H,17,18)
InChIKeyCLTRIVGBSBKTKW-UHFFFAOYSA-N
XLogP2.72
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342477
methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342825
2-[2-methylpropyl(pentan-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 79490717
2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103343571
2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103343070
2-ethylsulfonylcyclohexane-1-carboxylic acid
CID 165462105
2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342770
cis-(1R,2S)-2-[bis(2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 847386
2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid
CID 63068946
methyl 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342722
2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342665
2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103343234

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-methylpropyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylic acid (CID 103343203) is 2-[2-methylpropyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-methylpropyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-methylpropyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylic acid is CCC(CC)N(CC(C)C)S(=O)(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[2-methylpropyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is CLTRIVGBSBKTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4S/c1-5-12(6-2)16(10-11(3)4)21(19,20)14-9-7-8-13(14)15(17)18/h11-14H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-methylpropyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylic acid?
2-[2-methylpropyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 319.47 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103343203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).