1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid

C11H21NO4S — CID 115433192

IUPAC1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCCCCS(=O)(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C11H21NO4S/c1-2-3-8-17(15,16)12-9-11(10(13)14)6-4-5-7-11/h12H,2-9H2,1H3,(H,13,14)
InChIKeyATNVXLZPZFTMFO-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.35
Rot. Bonds7

About 1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid

1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433192) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID115433192
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCCCCS(=O)(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C11H21NO4S/c1-2-3-8-17(15,16)12-9-11(10(13)14)6-4-5-7-11/h12H,2-9H2,1H3,(H,13,14)
InChIKeyATNVXLZPZFTMFO-UHFFFAOYSA-N
XLogP1.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309116
2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164526
1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114806880
1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309110
1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
CID 82843118
4-[(butylsulfonylamino)methyl]oxane-4-carboxamide
CID 47372219
N-[[1-(dimethylamino)cyclopentyl]methyl]butane-1-sulfonamide
CID 131900223
1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 114806899
N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide
CID 131944790
1-[(tert-butylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443536
1-(butylsulfonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61292658
N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide
CID 115267418

Frequently Asked Questions

What is the IUPAC name of 1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid (CID 115433192) is 1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid is CCCCS(=O)(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is ATNVXLZPZFTMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-2-3-8-17(15,16)12-9-11(10(13)14)6-4-5-7-11/h12H,2-9H2,1H3,(H,13,14).
What are the key properties of 1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid?
1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 263.36 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).