2-(3-methylbutylsulfonylamino)cyclopentane-1-carboxylic acid

C11H21NO4S — CID 64817976

IUPAC2-(3-methylbutylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)CCS(=O)(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C11H21NO4S/c1-8(2)6-7-17(15,16)12-10-5-3-4-9(10)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyQKBFRBUZZXQWSJ-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.21
Rot. Bonds6

About 2-(3-methylbutylsulfonylamino)cyclopentane-1-carboxylic acid

2-(3-methylbutylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 64817976) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(3-methylbutylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylbutylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID64817976
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-(3-methylbutylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)CCS(=O)(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C11H21NO4S/c1-8(2)6-7-17(15,16)12-10-5-3-4-9(10)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyQKBFRBUZZXQWSJ-UHFFFAOYSA-N
XLogP1.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-methylbutylsulfonylamino)cyclopentane-1-carboxylic acid (CID 64817976) is 2-(3-methylbutylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methylbutylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-methylbutylsulfonylamino)cyclopentane-1-carboxylic acid is CC(C)CCS(=O)(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-(3-methylbutylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is QKBFRBUZZXQWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-8(2)6-7-17(15,16)12-10-5-3-4-9(10)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-methylbutylsulfonylamino)cyclopentane-1-carboxylic acid?
2-(3-methylbutylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 263.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).