piperidine-1,3-disulfonamide

C5H13N3O4S2 — CID 115897696

IUPACpiperidine-1,3-disulfonamide
SMILESNS(=O)(=O)C1CCCN(S(N)(=O)=O)C1
InChIInChI=1S/C5H13N3O4S2/c6-13(9,10)5-2-1-3-8(4-5)14(7,11)12/h5H,1-4H2,(H2,6,9,10)(H2,7,11,12)
InChIKeyNMCRDUDEOJWJTR-UHFFFAOYSA-N
MW243.31 g/mol
LogP-2.06
Rot. Bonds2

About piperidine-1,3-disulfonamide

piperidine-1,3-disulfonamide (PubChem CID 115897696) has the molecular formula C5H13N3O4S2 and a molecular weight of 243.31 g/mol. Its IUPAC name is piperidine-1,3-disulfonamide.

Molecular Properties

Compound Namepiperidine-1,3-disulfonamide
PubChem CID115897696
Molecular FormulaC5H13N3O4S2
Molecular Weight243.31 g/mol
Exact Mass243.03
IUPAC Namepiperidine-1,3-disulfonamide
SMILESNS(=O)(=O)C1CCCN(S(N)(=O)=O)C1
InChIInChI=1S/C5H13N3O4S2/c6-13(9,10)5-2-1-3-8(4-5)14(7,11)12/h5H,1-4H2,(H2,6,9,10)(H2,7,11,12)
InChIKeyNMCRDUDEOJWJTR-UHFFFAOYSA-N
XLogP-2.06
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-2.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide
CID 97257934
(3R)-3-aminopiperidine-1-sulfonamide
CID 102984338
1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132771
1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132900
1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132459
1-propylpiperidine-3-sulfonamide
CID 130991940
1-sulfamoylpiperidine-3-carboxamide
CID 43132049
1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132458
1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132278
1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide
CID 103302923
3-methylsulfonylpyrrolidine-1-sulfonamide
CID 57434350
1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide
CID 75400396

Frequently Asked Questions

What is the IUPAC name of piperidine-1,3-disulfonamide?
The IUPAC name of piperidine-1,3-disulfonamide (CID 115897696) is piperidine-1,3-disulfonamide.
What is the SMILES notation for piperidine-1,3-disulfonamide?
The canonical SMILES for piperidine-1,3-disulfonamide is NS(=O)(=O)C1CCCN(S(N)(=O)=O)C1.
What is the InChIKey of piperidine-1,3-disulfonamide?
The InChIKey is NMCRDUDEOJWJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O4S2/c6-13(9,10)5-2-1-3-8(4-5)14(7,11)12/h5H,1-4H2,(H2,6,9,10)(H2,7,11,12).
What are the key properties of piperidine-1,3-disulfonamide?
piperidine-1,3-disulfonamide has a molecular weight of 243.31 g/mol, XLogP of -2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1,3-disulfonamide is sourced from PubChem (CID 115897696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).