N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide

C8H16N2O2S — CID 63689347

IUPACN-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H16N2O2S/c1-7(2,3)13(11,12)10-8(4,5)6-9/h10H,1-5H3
InChIKeyOQCMTBSQZHHSEJ-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.01
Rot. Bonds2

About N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide

N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide (PubChem CID 63689347) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide
PubChem CID63689347
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H16N2O2S/c1-7(2,3)13(11,12)10-8(4,5)6-9/h10H,1-5H3
InChIKeyOQCMTBSQZHHSEJ-UHFFFAOYSA-N
XLogP1.01
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide (CID 63689347) is N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide is CC(C)(C#N)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is OQCMTBSQZHHSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-7(2,3)13(11,12)10-8(4,5)6-9/h10H,1-5H3.
What are the key properties of N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide?
N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 204.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63689347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).