N'-tert-butylethane-1,2-disulfonamide

C6H16N2O4S2 — CID 87286911

IUPACN'-tert-butylethane-1,2-disulfonamide
SMILESCC(C)(C)NS(=O)(=O)CCS(N)(=O)=O
InChIInChI=1S/C6H16N2O4S2/c1-6(2,3)8-14(11,12)5-4-13(7,9)10/h8H,4-5H2,1-3H3,(H2,7,9,10)
InChIKeyDFQDMSGFMBKTJD-UHFFFAOYSA-N
MW244.34 g/mol
LogP-1.01
Rot. Bonds4

About N'-tert-butylethane-1,2-disulfonamide

N'-tert-butylethane-1,2-disulfonamide (PubChem CID 87286911) has the molecular formula C6H16N2O4S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-tert-butylethane-1,2-disulfonamide.

Molecular Properties

Compound NameN'-tert-butylethane-1,2-disulfonamide
PubChem CID87286911
Molecular FormulaC6H16N2O4S2
Molecular Weight244.34 g/mol
Exact Mass244.06
IUPAC NameN'-tert-butylethane-1,2-disulfonamide
SMILESCC(C)(C)NS(=O)(=O)CCS(N)(=O)=O
InChIInChI=1S/C6H16N2O4S2/c1-6(2,3)8-14(11,12)5-4-13(7,9)10/h8H,4-5H2,1-3H3,(H2,7,9,10)
InChIKeyDFQDMSGFMBKTJD-UHFFFAOYSA-N
XLogP-1.01
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butylethane-1,2-disulfonamide?
The IUPAC name of N'-tert-butylethane-1,2-disulfonamide (CID 87286911) is N'-tert-butylethane-1,2-disulfonamide.
What is the SMILES notation for N'-tert-butylethane-1,2-disulfonamide?
The canonical SMILES for N'-tert-butylethane-1,2-disulfonamide is CC(C)(C)NS(=O)(=O)CCS(N)(=O)=O.
What is the InChIKey of N'-tert-butylethane-1,2-disulfonamide?
The InChIKey is DFQDMSGFMBKTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O4S2/c1-6(2,3)8-14(11,12)5-4-13(7,9)10/h8H,4-5H2,1-3H3,(H2,7,9,10).
What are the key properties of N'-tert-butylethane-1,2-disulfonamide?
N'-tert-butylethane-1,2-disulfonamide has a molecular weight of 244.34 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butylethane-1,2-disulfonamide is sourced from PubChem (CID 87286911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).