1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid

C10H21N3O6S2 — CID 106334906

IUPAC1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
SMILESCS(=O)(=O)NCCCNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H21N3O6S2/c1-20(16,17)11-5-3-6-12-21(18,19)13-7-2-4-9(8-13)10(14)15/h9,11-12H,2-8H2,1H3,(H,14,15)
InChIKeyIVDUASQXIZFEPT-UHFFFAOYSA-N
MW343.43 g/mol
LogP-1.44
Rot. Bonds8

About 1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid

1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid (PubChem CID 106334906) has the molecular formula C10H21N3O6S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
PubChem CID106334906
Molecular FormulaC10H21N3O6S2
Molecular Weight343.43 g/mol
Exact Mass343.09
IUPAC Name1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
SMILESCS(=O)(=O)NCCCNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H21N3O6S2/c1-20(16,17)11-5-3-6-12-21(18,19)13-7-2-4-9(8-13)10(14)15/h9,11-12H,2-8H2,1H3,(H,14,15)
InChIKeyIVDUASQXIZFEPT-UHFFFAOYSA-N
XLogP-1.44
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603
1-(3-butoxypropylsulfamoyl)piperidine-3-carboxylic acid
CID 115596236
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid
CID 61403789
1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858431
1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 62693713
1-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 60859573
1-(2-prop-2-ynylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 114187438

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid (CID 106334906) is 1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid is CS(=O)(=O)NCCCNS(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is IVDUASQXIZFEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O6S2/c1-20(16,17)11-5-3-6-12-21(18,19)13-7-2-4-9(8-13)10(14)15/h9,11-12H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid?
1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of -1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 106334906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).