3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid

C10H17NO4S — CID 66032155

IUPAC3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)CC2CC2)C1
InChIInChI=1S/C10H17NO4S/c12-10(13)8-3-4-9(5-8)11-16(14,15)6-7-1-2-7/h7-9,11H,1-6H2,(H,12,13)
InChIKeyJIHUTAWLPDGYAK-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.57
Rot. Bonds5

About 3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid

3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 66032155) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID66032155
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)CC2CC2)C1
InChIInChI=1S/C10H17NO4S/c12-10(13)8-3-4-9(5-8)11-16(14,15)6-7-1-2-7/h7-9,11H,1-6H2,(H,12,13)
InChIKeyJIHUTAWLPDGYAK-UHFFFAOYSA-N
XLogP0.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Cyclopropylsulfonylamino)-2-ethyl-1-fluorocyclopentane-1-carboxylic acid
CID 141383365
3-(Difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032747
3-(4,4,4-Trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid
CID 83068331
cis-(1R,3S)-3-(difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 106321493
cis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid
CID 106321719
(1S,3S,4R)-3-[[1-(difluoromethyl)cyclopentyl]methylsulfonylamino]bicyclo[2.1.0]pentane-1-carboxylic acid
CID 166290682
4-(Cyclopropanesulfonamido)-2-methylcyclopentanecarboxylic acid
CID 58009988
(1S,2R,4S)-4-(cyclopropanesulfonamido)-2-ethylcyclopentanecarboxylic acid
CID 58010069
3-(Propylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66030367
3-(Methanesulfonamido)cyclopentane-1-carboxylic acid
CID 66030553
3-(3-Methylbutylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032158
4-(Cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid
CID 67068330

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid (CID 66032155) is 3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(NS(=O)(=O)CC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is JIHUTAWLPDGYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-10(13)8-3-4-9(5-8)11-16(14,15)6-7-1-2-7/h7-9,11H,1-6H2,(H,12,13).
What are the key properties of 3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid?
3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).