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

C8H16N2O2S — CID 63687492

IUPACN-(1-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide
SMILESCC(CC#N)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H16N2O2S/c1-7(5-6-9)10-13(11,12)8(2,3)4/h7,10H,5H2,1-4H3
InChIKeyPTUPMJTVQBHDAN-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.01
Rot. Bonds3

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

N-(1-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide (PubChem CID 63687492) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide
PubChem CID63687492
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(1-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide
SMILESCC(CC#N)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H16N2O2S/c1-7(5-6-9)10-13(11,12)8(2,3)4/h7,10H,5H2,1-4H3
InChIKeyPTUPMJTVQBHDAN-UHFFFAOYSA-N
XLogP1.01
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(1-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide (CID 63687492) is N-(1-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide is CC(CC#N)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is PTUPMJTVQBHDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-7(5-6-9)10-13(11,12)8(2,3)4/h7,10H,5H2,1-4H3.
What are the key properties of N-(1-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide?
N-(1-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 204.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63687492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).