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

C8H16N2O2S — CID 62733698

IUPACN-(1-cyanopropan-2-yl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC(C)CC#N
InChIInChI=1S/C8H16N2O2S/c1-7(2)6-13(11,12)10-8(3)4-5-9/h7-8,10H,4,6H2,1-3H3
InChIKeyTYQDMOFNSBPADE-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.86
Rot. Bonds5

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

N-(1-cyanopropan-2-yl)-2-methylpropane-1-sulfonamide (PubChem CID 62733698) 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-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-methylpropane-1-sulfonamide
PubChem CID62733698
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(1-cyanopropan-2-yl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC(C)CC#N
InChIInChI=1S/C8H16N2O2S/c1-7(2)6-13(11,12)10-8(3)4-5-9/h7-8,10H,4,6H2,1-3H3
InChIKeyTYQDMOFNSBPADE-UHFFFAOYSA-N
XLogP0.86
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.86
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-1-sulfonamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-methylpropane-1-sulfonamide (CID 62733698) is N-(1-cyanopropan-2-yl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NC(C)CC#N.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-methylpropane-1-sulfonamide?
The InChIKey is TYQDMOFNSBPADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-7(2)6-13(11,12)10-8(3)4-5-9/h7-8,10H,4,6H2,1-3H3.
What are the key properties of N-(1-cyanopropan-2-yl)-2-methylpropane-1-sulfonamide?
N-(1-cyanopropan-2-yl)-2-methylpropane-1-sulfonamide has a molecular weight of 204.29 g/mol, XLogP of 0.86, 5 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-1-sulfonamide is sourced from PubChem (CID 62733698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).