1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid

C13H17NO4S — CID 115445364

IUPAC1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)Cc2ccccc2)CCC1
InChIInChI=1S/C13H17NO4S/c15-12(16)13(7-4-8-13)10-14-19(17,18)9-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2,(H,15,16)
InChIKeyNKPOCQJTVFLFHL-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.36
Rot. Bonds6

About 1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid

1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445364) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID115445364
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)Cc2ccccc2)CCC1
InChIInChI=1S/C13H17NO4S/c15-12(16)13(7-4-8-13)10-14-19(17,18)9-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2,(H,15,16)
InChIKeyNKPOCQJTVFLFHL-UHFFFAOYSA-N
XLogP1.36
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(4-cyanophenyl)methylsulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445386
1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
CID 113311051
1-[[(2-cyanophenyl)methylsulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445360
1-[[(4-nitrophenyl)methylsulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450275
1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311040
1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
CID 82843118
1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450131
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide
CID 110446165
1-[[(4-iodophenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311052
1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid
CID 71416986
1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309116
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765

Frequently Asked Questions

What is the IUPAC name of 1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid (CID 115445364) is 1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(CNS(=O)(=O)Cc2ccccc2)CCC1.
What is the InChIKey of 1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is NKPOCQJTVFLFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c15-12(16)13(7-4-8-13)10-14-19(17,18)9-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2,(H,15,16).
What are the key properties of 1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(benzylsulfonylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).