1-[2-(methanesulfonamido)ethylcarbamoyl]piperidine-4-carboxylic acid

C10H19N3O5S — CID 43546313

IUPAC1-[2-(methanesulfonamido)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCS(=O)(=O)NCCNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H19N3O5S/c1-19(17,18)12-5-4-11-10(16)13-6-2-8(3-7-13)9(14)15/h8,12H,2-7H2,1H3,(H,11,16)(H,14,15)
InChIKeyQDTBDRDHGMCEIH-UHFFFAOYSA-N
MW293.35 g/mol
LogP-0.96
Rot. Bonds5

About 1-[2-(methanesulfonamido)ethylcarbamoyl]piperidine-4-carboxylic acid

1-[2-(methanesulfonamido)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 43546313) has the molecular formula C10H19N3O5S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID43546313
Molecular FormulaC10H19N3O5S
Molecular Weight293.35 g/mol
Exact Mass293.10
IUPAC Name1-[2-(methanesulfonamido)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCS(=O)(=O)NCCNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H19N3O5S/c1-19(17,18)12-5-4-11-10(16)13-6-2-8(3-7-13)9(14)15/h8,12H,2-7H2,1H3,(H,11,16)(H,14,15)
InChIKeyQDTBDRDHGMCEIH-UHFFFAOYSA-N
XLogP-0.96
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(methanesulfonamido)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 43546313) is 1-[2-(methanesulfonamido)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(methanesulfonamido)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(methanesulfonamido)ethylcarbamoyl]piperidine-4-carboxylic acid is CS(=O)(=O)NCCNC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(methanesulfonamido)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is QDTBDRDHGMCEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5S/c1-19(17,18)12-5-4-11-10(16)13-6-2-8(3-7-13)9(14)15/h8,12H,2-7H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 1-[2-(methanesulfonamido)ethylcarbamoyl]piperidine-4-carboxylic acid?
1-[2-(methanesulfonamido)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43546313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).