1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid

C11H20N2O5S — CID 60858615

IUPAC1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)N(CCO)C2CC2)C1
InChIInChI=1S/C11H20N2O5S/c14-7-6-13(10-3-4-10)19(17,18)12-5-1-2-9(8-12)11(15)16/h9-10,14H,1-8H2,(H,15,16)
InChIKeyRVPCNRCWFLNSEL-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.52
Rot. Bonds6

About 1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid

1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 60858615) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID60858615
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)N(CCO)C2CC2)C1
InChIInChI=1S/C11H20N2O5S/c14-7-6-13(10-3-4-10)19(17,18)12-5-1-2-9(8-12)11(15)16/h9-10,14H,1-8H2,(H,15,16)
InChIKeyRVPCNRCWFLNSEL-UHFFFAOYSA-N
XLogP-0.52
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857937
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859891
3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid
CID 60830000
1-(dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107198691
1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 63207417
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid
CID 106359331
1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857619
2-[cyclopentyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
CID 54925873
N-(3-aminopropyl)-N-cyclopropylpyrrolidine-1-sulfonamide
CID 43136983
N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 102675737

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid (CID 60858615) is 1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)N(CCO)C2CC2)C1.
What is the InChIKey of 1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is RVPCNRCWFLNSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c14-7-6-13(10-3-4-10)19(17,18)12-5-1-2-9(8-12)11(15)16/h9-10,14H,1-8H2,(H,15,16).
What are the key properties of 1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 60858615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).