N'-tert-butylmethanedisulfonamide

C5H14N2O4S2 — CID 14460428

IUPACN'-tert-butylmethanedisulfonamide
SMILESCC(C)(C)NS(=O)(=O)CS(N)(=O)=O
InChIInChI=1S/C5H14N2O4S2/c1-5(2,3)7-13(10,11)4-12(6,8)9/h7H,4H2,1-3H3,(H2,6,8,9)
InChIKeyJXHPKZQHJZNCAK-UHFFFAOYSA-N
MW230.31 g/mol
LogP-1.05
Rot. Bonds3

About N'-tert-butylmethanedisulfonamide

N'-tert-butylmethanedisulfonamide (PubChem CID 14460428) has the molecular formula C5H14N2O4S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N'-tert-butylmethanedisulfonamide.

Molecular Properties

Compound NameN'-tert-butylmethanedisulfonamide
PubChem CID14460428
Molecular FormulaC5H14N2O4S2
Molecular Weight230.31 g/mol
Exact Mass230.04
IUPAC NameN'-tert-butylmethanedisulfonamide
SMILESCC(C)(C)NS(=O)(=O)CS(N)(=O)=O
InChIInChI=1S/C5H14N2O4S2/c1-5(2,3)7-13(10,11)4-12(6,8)9/h7H,4H2,1-3H3,(H2,6,8,9)
InChIKeyJXHPKZQHJZNCAK-UHFFFAOYSA-N
XLogP-1.05
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butylmethanedisulfonamide?
The IUPAC name of N'-tert-butylmethanedisulfonamide (CID 14460428) is N'-tert-butylmethanedisulfonamide.
What is the SMILES notation for N'-tert-butylmethanedisulfonamide?
The canonical SMILES for N'-tert-butylmethanedisulfonamide is CC(C)(C)NS(=O)(=O)CS(N)(=O)=O.
What is the InChIKey of N'-tert-butylmethanedisulfonamide?
The InChIKey is JXHPKZQHJZNCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O4S2/c1-5(2,3)7-13(10,11)4-12(6,8)9/h7H,4H2,1-3H3,(H2,6,8,9).
What are the key properties of N'-tert-butylmethanedisulfonamide?
N'-tert-butylmethanedisulfonamide has a molecular weight of 230.31 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butylmethanedisulfonamide is sourced from PubChem (CID 14460428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).