1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid

C17H22N2O6S — CID 119251819

IUPAC1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C17H22N2O6S/c20-15(19-8-6-17(23,7-9-19)16(21)22)13-2-1-3-14(10-13)26(24,25)18-11-12-4-5-12/h1-3,10,12,18,23H,4-9,11H2,(H,21,22)
InChIKeyOOOHOMUPOIVXJB-UHFFFAOYSA-N
MW382.44 g/mol
LogP0.43
Rot. Bonds6

About 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid

1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251819) has the molecular formula C17H22N2O6S and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251819
Molecular FormulaC17H22N2O6S
Molecular Weight382.44 g/mol
Exact Mass382.12
IUPAC Name1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C17H22N2O6S/c20-15(19-8-6-17(23,7-9-19)16(21)22)13-2-1-3-14(10-13)26(24,25)18-11-12-4-5-12/h1-3,10,12,18,23H,4-9,11H2,(H,21,22)
InChIKeyOOOHOMUPOIVXJB-UHFFFAOYSA-N
XLogP0.43
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259392
3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 119376148
N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563230
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide
CID 119486514
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55655065
N-(cyclopropylmethyl)-3-(3-methyl-4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 126817604
N-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 37002112
3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 99936530
2-[4-[3-(cyclopropylmethylsulfamoyl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119210899
N-(cyclopropylmethyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 37023245
N-(cyclopropylmethyl)-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55956827
N-cyclopropyl-3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119622166

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid (CID 119251819) is 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid is O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is OOOHOMUPOIVXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S/c20-15(19-8-6-17(23,7-9-19)16(21)22)13-2-1-3-14(10-13)26(24,25)18-11-12-4-5-12/h1-3,10,12,18,23H,4-9,11H2,(H,21,22).
What are the key properties of 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 382.44 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).