2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid

C14H23NO4S — CID 103343070

IUPAC2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1S(=O)(=O)N(CC1CC1)CC1CC1
InChIInChI=1S/C14H23NO4S/c16-14(17)12-2-1-3-13(12)20(18,19)15(8-10-4-5-10)9-11-6-7-11/h10-13H,1-9H2,(H,16,17)
InChIKeyJJPSYFZWECBIRY-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.69
Rot. Bonds7

About 2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid

2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103343070) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid
PubChem CID103343070
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1S(=O)(=O)N(CC1CC1)CC1CC1
InChIInChI=1S/C14H23NO4S/c16-14(17)12-2-1-3-13(12)20(18,19)15(8-10-4-5-10)9-11-6-7-11/h10-13H,1-9H2,(H,16,17)
InChIKeyJJPSYFZWECBIRY-UHFFFAOYSA-N
XLogP1.69
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342603
2-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342604
2-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342620
2-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342840
6-(1,1-Dioxo-1,2-thiazolidin-2-yl)-4-ethylhexanoic acid
CID 64348291
6-(1,1-Dioxo-1,2-thiazolidin-2-yl)-4-methylhexanoic acid
CID 64364377
3-(1-Cyclopropanesulfonyl-piperidin-4-yl)-propionic acid
CID 64555145
3-[1-(Cyclopropylmethylsulfonyl)piperidin-4-yl]propanoic acid
CID 64987313
4-Methyl-6-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)hexanoic acid
CID 79580611
4-Ethyl-6-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)hexanoic acid
CID 79580704
3-(1-Cyclopropylsulfonylpyrrolidin-3-yl)propanoic acid
CID 81715630
3-[1-(Cyclopropylmethylsulfonyl)pyrrolidin-3-yl]propanoic acid
CID 81715635

Frequently Asked Questions

What is the IUPAC name of 2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid (CID 103343070) is 2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1S(=O)(=O)N(CC1CC1)CC1CC1.
What is the InChIKey of 2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is JJPSYFZWECBIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c16-14(17)12-2-1-3-13(12)20(18,19)15(8-10-4-5-10)9-11-6-7-11/h10-13H,1-9H2,(H,16,17).
What are the key properties of 2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid?
2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 301.41 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103343070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).