1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid

C14H19NO4S — CID 115450131

IUPAC1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCC(CS(=O)(=O)NCC1(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C14H19NO4S/c1-11(12-5-3-2-4-6-12)9-20(18,19)15-10-14(7-8-14)13(16)17/h2-6,11,15H,7-10H2,1H3,(H,16,17)
InChIKeyLHMPWWQYEYATDW-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.57
Rot. Bonds7

About 1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid

1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450131) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115450131
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCC(CS(=O)(=O)NCC1(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C14H19NO4S/c1-11(12-5-3-2-4-6-12)9-20(18,19)15-10-14(7-8-14)13(16)17/h2-6,11,15H,7-10H2,1H3,(H,16,17)
InChIKeyLHMPWWQYEYATDW-UHFFFAOYSA-N
XLogP1.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 972402
(2R)-2-[[(2-ethylphenyl)sulfonylamino]methyl]-3-methylbutanoic acid
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CID 239915
3-(Benzylsulfonylamino)propanoic acid
CID 344425
4-[2-(2-Fluorophenyl)ethylsulfamoyl]butanoic acid
CID 28513594
4-[2-(4-Fluorophenyl)ethylsulfamoyl]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid (CID 115450131) is 1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid is CC(CS(=O)(=O)NCC1(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is LHMPWWQYEYATDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-11(12-5-3-2-4-6-12)9-20(18,19)15-10-14(7-8-14)13(16)17/h2-6,11,15H,7-10H2,1H3,(H,16,17).
What are the key properties of 1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).