N-tert-butyl-4-tert-butylsulfinamoyl-4-methylpentane-1-sulfonamide

C14H32N2O3S2 — CID 130218693

IUPACN-tert-butyl-4-tert-butylsulfinamoyl-4-methylpentane-1-sulfonamide
SMILESCC(C)(C)NS(=O)C(C)(C)CCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C14H32N2O3S2/c1-12(2,3)15-20(17)14(7,8)10-9-11-21(18,19)16-13(4,5)6/h15-16H,9-11H2,1-8H3
InChIKeyMIZLJRNDOGGPBI-UHFFFAOYSA-N
MW340.56 g/mol
LogP2.31
Rot. Bonds7

About N-tert-butyl-4-tert-butylsulfinamoyl-4-methylpentane-1-sulfonamide

N-tert-butyl-4-tert-butylsulfinamoyl-4-methylpentane-1-sulfonamide (PubChem CID 130218693) has the molecular formula C14H32N2O3S2 and a molecular weight of 340.56 g/mol. Its IUPAC name is N-tert-butyl-4-tert-butylsulfinamoyl-4-methylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-tert-butylsulfinamoyl-4-methylpentane-1-sulfonamide
PubChem CID130218693
Molecular FormulaC14H32N2O3S2
Molecular Weight340.56 g/mol
Exact Mass340.19
IUPAC NameN-tert-butyl-4-tert-butylsulfinamoyl-4-methylpentane-1-sulfonamide
SMILESCC(C)(C)NS(=O)C(C)(C)CCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C14H32N2O3S2/c1-12(2,3)15-20(17)14(7,8)10-9-11-21(18,19)16-13(4,5)6/h15-16H,9-11H2,1-8H3
InChIKeyMIZLJRNDOGGPBI-UHFFFAOYSA-N
XLogP2.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.56
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-tert-butylsulfinamoyl-4-methylpentane-1-sulfonamide?
The IUPAC name of N-tert-butyl-4-tert-butylsulfinamoyl-4-methylpentane-1-sulfonamide (CID 130218693) is N-tert-butyl-4-tert-butylsulfinamoyl-4-methylpentane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-4-tert-butylsulfinamoyl-4-methylpentane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-4-tert-butylsulfinamoyl-4-methylpentane-1-sulfonamide is CC(C)(C)NS(=O)C(C)(C)CCCS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-tert-butylsulfinamoyl-4-methylpentane-1-sulfonamide?
The InChIKey is MIZLJRNDOGGPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O3S2/c1-12(2,3)15-20(17)14(7,8)10-9-11-21(18,19)16-13(4,5)6/h15-16H,9-11H2,1-8H3.
What are the key properties of N-tert-butyl-4-tert-butylsulfinamoyl-4-methylpentane-1-sulfonamide?
N-tert-butyl-4-tert-butylsulfinamoyl-4-methylpentane-1-sulfonamide has a molecular weight of 340.56 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-tert-butylsulfinamoyl-4-methylpentane-1-sulfonamide is sourced from PubChem (CID 130218693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).