3,10-disulfamoyldodecanedioic acid

C12H24N2O8S2 — CID 23461301

IUPAC3,10-disulfamoyldodecanedioic acid
SMILESNS(=O)(=O)C(CCCCCCC(CC(=O)O)S(N)(=O)=O)CC(=O)O
InChIInChI=1S/C12H24N2O8S2/c13-23(19,20)9(7-11(15)16)5-3-1-2-4-6-10(8-12(17)18)24(14,21)22/h9-10H,1-8H2,(H,15,16)(H,17,18)(H2,13,19,20)(H2,14,21,22)
InChIKeyJMRZEKXFEZUNKK-UHFFFAOYSA-N
MW388.46 g/mol
LogP-0.41
Rot. Bonds13

About 3,10-disulfamoyldodecanedioic acid

3,10-disulfamoyldodecanedioic acid (PubChem CID 23461301) has the molecular formula C12H24N2O8S2 and a molecular weight of 388.46 g/mol. Its IUPAC name is 3,10-disulfamoyldodecanedioic acid.

Molecular Properties

Compound Name3,10-disulfamoyldodecanedioic acid
PubChem CID23461301
Molecular FormulaC12H24N2O8S2
Molecular Weight388.46 g/mol
Exact Mass388.10
IUPAC Name3,10-disulfamoyldodecanedioic acid
SMILESNS(=O)(=O)C(CCCCCCC(CC(=O)O)S(N)(=O)=O)CC(=O)O
InChIInChI=1S/C12H24N2O8S2/c13-23(19,20)9(7-11(15)16)5-3-1-2-4-6-10(8-12(17)18)24(14,21)22/h9-10H,1-8H2,(H,15,16)(H,17,18)(H2,13,19,20)(H2,14,21,22)
InChIKeyJMRZEKXFEZUNKK-UHFFFAOYSA-N
XLogP-0.41
TPSA194.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-Sulfamoylheptanoic acid
CID 56994493
2-Sulfododecanoic acid
CID 18279
Sulfomyristic acid
CID 122546
11-Sulfoundecanoic acid
CID 13816635
alpha-Sulfooctanoic acid
CID 12474464
alpha-Sulfo-decanoic acid
CID 12474465
alpha-Sulfopelargonic acid
CID 129727162
11-Chlorosulfonylundecanoic acid
CID 121217358
11-(Hydrazinesulfonyl)undecanoic acid
CID 277464
9-Sulfononanoic acid
CID 18172929
2-Sulfododecanedioic acid
CID 18925926
2-Sulfoundecanoic acid
CID 23139684

Frequently Asked Questions

What is the IUPAC name of 3,10-disulfamoyldodecanedioic acid?
The IUPAC name of 3,10-disulfamoyldodecanedioic acid (CID 23461301) is 3,10-disulfamoyldodecanedioic acid.
What is the SMILES notation for 3,10-disulfamoyldodecanedioic acid?
The canonical SMILES for 3,10-disulfamoyldodecanedioic acid is NS(=O)(=O)C(CCCCCCC(CC(=O)O)S(N)(=O)=O)CC(=O)O.
What is the InChIKey of 3,10-disulfamoyldodecanedioic acid?
The InChIKey is JMRZEKXFEZUNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O8S2/c13-23(19,20)9(7-11(15)16)5-3-1-2-4-6-10(8-12(17)18)24(14,21)22/h9-10H,1-8H2,(H,15,16)(H,17,18)(H2,13,19,20)(H2,14,21,22).
What are the key properties of 3,10-disulfamoyldodecanedioic acid?
3,10-disulfamoyldodecanedioic acid has a molecular weight of 388.46 g/mol, XLogP of -0.41, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-disulfamoyldodecanedioic acid is sourced from PubChem (CID 23461301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).