N-(2-cyanopropan-2-yl)propane-1-sulfonamide

C7H14N2O2S — CID 61127904

IUPACN-(2-cyanopropan-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C7H14N2O2S/c1-4-5-12(10,11)9-7(2,3)6-8/h9H,4-5H2,1-3H3
InChIKeySAPKNYIEXHIZMD-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.62
Rot. Bonds4

About N-(2-cyanopropan-2-yl)propane-1-sulfonamide

N-(2-cyanopropan-2-yl)propane-1-sulfonamide (PubChem CID 61127904) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)propane-1-sulfonamide
PubChem CID61127904
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-(2-cyanopropan-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C7H14N2O2S/c1-4-5-12(10,11)9-7(2,3)6-8/h9H,4-5H2,1-3H3
InChIKeySAPKNYIEXHIZMD-UHFFFAOYSA-N
XLogP0.62
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.62
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)propane-1-sulfonamide?
The IUPAC name of N-(2-cyanopropan-2-yl)propane-1-sulfonamide (CID 61127904) is N-(2-cyanopropan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)propane-1-sulfonamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)propane-1-sulfonamide?
The InChIKey is SAPKNYIEXHIZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-4-5-12(10,11)9-7(2,3)6-8/h9H,4-5H2,1-3H3.
What are the key properties of N-(2-cyanopropan-2-yl)propane-1-sulfonamide?
N-(2-cyanopropan-2-yl)propane-1-sulfonamide has a molecular weight of 190.27 g/mol, XLogP of 0.62, 4 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)propane-1-sulfonamide is sourced from PubChem (CID 61127904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).