2-(propan-2-ylsulfonylamino)cyclopentane-1-carboxylic acid

C9H17NO4S — CID 64816230

IUPAC2-(propan-2-ylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)S(=O)(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C9H17NO4S/c1-6(2)15(13,14)10-8-5-3-4-7(8)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyAUARNMHZCAFUJU-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.57
Rot. Bonds4

About 2-(propan-2-ylsulfonylamino)cyclopentane-1-carboxylic acid

2-(propan-2-ylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 64816230) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(propan-2-ylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(propan-2-ylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID64816230
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name2-(propan-2-ylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)S(=O)(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C9H17NO4S/c1-6(2)15(13,14)10-8-5-3-4-7(8)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyAUARNMHZCAFUJU-UHFFFAOYSA-N
XLogP0.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(propan-2-ylsulfonylamino)cyclopentane-1-carboxylic acid (CID 64816230) is 2-(propan-2-ylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(propan-2-ylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(propan-2-ylsulfonylamino)cyclopentane-1-carboxylic acid is CC(C)S(=O)(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-(propan-2-ylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is AUARNMHZCAFUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-6(2)15(13,14)10-8-5-3-4-7(8)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-(propan-2-ylsulfonylamino)cyclopentane-1-carboxylic acid?
2-(propan-2-ylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 235.30 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64816230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).