1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid

C12H23N3O4S — CID 62976287

IUPAC1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
SMILESCN(CCNS(=O)(=O)N1CCCCC1C(=O)O)C1CC1
InChIInChI=1S/C12H23N3O4S/c1-14(10-5-6-10)9-7-13-20(18,19)15-8-3-2-4-11(15)12(16)17/h10-11,13H,2-9H2,1H3,(H,16,17)
InChIKeyYRWXOFWBVVUBMK-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.15
Rot. Bonds7

About 1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid

1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid (PubChem CID 62976287) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
PubChem CID62976287
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
SMILESCN(CCNS(=O)(=O)N1CCCCC1C(=O)O)C1CC1
InChIInChI=1S/C12H23N3O4S/c1-14(10-5-6-10)9-7-13-20(18,19)15-8-3-2-4-11(15)12(16)17/h10-11,13H,2-9H2,1H3,(H,16,17)
InChIKeyYRWXOFWBVVUBMK-UHFFFAOYSA-N
XLogP-0.15
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid (CID 62976287) is 1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid is CN(CCNS(=O)(=O)N1CCCCC1C(=O)O)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is YRWXOFWBVVUBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-14(10-5-6-10)9-7-13-20(18,19)15-8-3-2-4-11(15)12(16)17/h10-11,13H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid?
1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 305.40 g/mol, XLogP of -0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 62976287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).