N-(1-cyanopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide

C9H16N2O3S — CID 55208606

IUPACN-(1-cyanopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(CC#N)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H16N2O3S/c1-8(4-5-10)11-15(12,13)7-9-3-2-6-14-9/h8-9,11H,2-4,6-7H2,1H3
InChIKeyAMJSLRPYWUGYKY-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.39
Rot. Bonds5

About N-(1-cyanopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide

N-(1-cyanopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 55208606) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID55208606
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-(1-cyanopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(CC#N)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H16N2O3S/c1-8(4-5-10)11-15(12,13)7-9-3-2-6-14-9/h8-9,11H,2-4,6-7H2,1H3
InChIKeyAMJSLRPYWUGYKY-UHFFFAOYSA-N
XLogP0.39
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (CID 55208606) is N-(1-cyanopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is CC(CC#N)NS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is AMJSLRPYWUGYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-8(4-5-10)11-15(12,13)7-9-3-2-6-14-9/h8-9,11H,2-4,6-7H2,1H3.
What are the key properties of N-(1-cyanopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
N-(1-cyanopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 232.30 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 55208606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).