1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid

C12H23NO4S — CID 113309116

IUPAC1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)CS(=O)(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C12H23NO4S/c1-11(2,3)9-18(16,17)13-8-12(10(14)15)6-4-5-7-12/h13H,4-9H2,1-3H3,(H,14,15)
InChIKeyOOMPFIZRCLPTBS-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.60
Rot. Bonds5

About 1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid

1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 113309116) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID113309116
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)CS(=O)(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C12H23NO4S/c1-11(2,3)9-18(16,17)13-8-12(10(14)15)6-4-5-7-12/h13H,4-9H2,1-3H3,(H,14,15)
InChIKeyOOMPFIZRCLPTBS-UHFFFAOYSA-N
XLogP1.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(tert-butylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443536
1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309110
1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433192
1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
CID 82843118
1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114806880
1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 114806899
1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246491
1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 114806915
1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81361889
1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433168
1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311040
1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445364

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid (CID 113309116) is 1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid is CC(C)(C)CS(=O)(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is OOMPFIZRCLPTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-11(2,3)9-18(16,17)13-8-12(10(14)15)6-4-5-7-12/h13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid?
1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 277.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113309116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).