N-tert-butyl-2-cyano-2-methylpropane-1-sulfonamide

C9H18N2O2S — CID 158655174

IUPACN-tert-butyl-2-cyano-2-methylpropane-1-sulfonamide
SMILESCC(C)(C#N)CS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H18N2O2S/c1-8(2,3)11-14(12,13)7-9(4,5)6-10/h11H,7H2,1-5H3
InChIKeyXHAKUSCOGJVZRR-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.25
Rot. Bonds3

About N-tert-butyl-2-cyano-2-methylpropane-1-sulfonamide

N-tert-butyl-2-cyano-2-methylpropane-1-sulfonamide (PubChem CID 158655174) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-tert-butyl-2-cyano-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-cyano-2-methylpropane-1-sulfonamide
PubChem CID158655174
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-tert-butyl-2-cyano-2-methylpropane-1-sulfonamide
SMILESCC(C)(C#N)CS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H18N2O2S/c1-8(2,3)11-14(12,13)7-9(4,5)6-10/h11H,7H2,1-5H3
InChIKeyXHAKUSCOGJVZRR-UHFFFAOYSA-N
XLogP1.25
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-cyano-2-methylpropane-1-sulfonamide?
The IUPAC name of N-tert-butyl-2-cyano-2-methylpropane-1-sulfonamide (CID 158655174) is N-tert-butyl-2-cyano-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-2-cyano-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-2-cyano-2-methylpropane-1-sulfonamide is CC(C)(C#N)CS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-cyano-2-methylpropane-1-sulfonamide?
The InChIKey is XHAKUSCOGJVZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-8(2,3)11-14(12,13)7-9(4,5)6-10/h11H,7H2,1-5H3.
What are the key properties of N-tert-butyl-2-cyano-2-methylpropane-1-sulfonamide?
N-tert-butyl-2-cyano-2-methylpropane-1-sulfonamide has a molecular weight of 218.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cyano-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 158655174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).