N-[2-(tert-butylsulfonylamino)-3,3-dimethylbut-1-enyl]-2-methylpropane-2-sulfonamide

C14H30N2O4S2 — CID 90978669

IUPACN-[2-(tert-butylsulfonylamino)-3,3-dimethylbut-1-enyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)C(=CNS(=O)(=O)C(C)(C)C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H30N2O4S2/c1-12(2,3)11(16-22(19,20)14(7,8)9)10-15-21(17,18)13(4,5)6/h10,15-16H,1-9H3
InChIKeyCYABHUODPMNMLR-UHFFFAOYSA-N
MW354.54 g/mol
LogP2.31
Rot. Bonds4

About N-[2-(tert-butylsulfonylamino)-3,3-dimethylbut-1-enyl]-2-methylpropane-2-sulfonamide

N-[2-(tert-butylsulfonylamino)-3,3-dimethylbut-1-enyl]-2-methylpropane-2-sulfonamide (PubChem CID 90978669) has the molecular formula C14H30N2O4S2 and a molecular weight of 354.54 g/mol. Its IUPAC name is N-[2-(tert-butylsulfonylamino)-3,3-dimethylbut-1-enyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(tert-butylsulfonylamino)-3,3-dimethylbut-1-enyl]-2-methylpropane-2-sulfonamide
PubChem CID90978669
Molecular FormulaC14H30N2O4S2
Molecular Weight354.54 g/mol
Exact Mass354.16
IUPAC NameN-[2-(tert-butylsulfonylamino)-3,3-dimethylbut-1-enyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)C(=CNS(=O)(=O)C(C)(C)C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H30N2O4S2/c1-12(2,3)11(16-22(19,20)14(7,8)9)10-15-21(17,18)13(4,5)6/h10,15-16H,1-9H3
InChIKeyCYABHUODPMNMLR-UHFFFAOYSA-N
XLogP2.31
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylsulfonylamino)-3,3-dimethylbut-1-enyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[2-(tert-butylsulfonylamino)-3,3-dimethylbut-1-enyl]-2-methylpropane-2-sulfonamide (CID 90978669) is N-[2-(tert-butylsulfonylamino)-3,3-dimethylbut-1-enyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[2-(tert-butylsulfonylamino)-3,3-dimethylbut-1-enyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[2-(tert-butylsulfonylamino)-3,3-dimethylbut-1-enyl]-2-methylpropane-2-sulfonamide is CC(C)(C)C(=CNS(=O)(=O)C(C)(C)C)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[2-(tert-butylsulfonylamino)-3,3-dimethylbut-1-enyl]-2-methylpropane-2-sulfonamide?
The InChIKey is CYABHUODPMNMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4S2/c1-12(2,3)11(16-22(19,20)14(7,8)9)10-15-21(17,18)13(4,5)6/h10,15-16H,1-9H3.
What are the key properties of N-[2-(tert-butylsulfonylamino)-3,3-dimethylbut-1-enyl]-2-methylpropane-2-sulfonamide?
N-[2-(tert-butylsulfonylamino)-3,3-dimethylbut-1-enyl]-2-methylpropane-2-sulfonamide has a molecular weight of 354.54 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylsulfonylamino)-3,3-dimethylbut-1-enyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 90978669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).