N-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide

C11H20N2O3S — CID 55137240

IUPACN-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H20N2O3S/c1-3-13(8-10(2)7-12)17(14,15)9-11-5-4-6-16-11/h10-11H,3-6,8-9H2,1-2H3
InChIKeyGINIVXKBTCENLT-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.98
Rot. Bonds6

About N-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide

N-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 55137240) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID55137240
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H20N2O3S/c1-3-13(8-10(2)7-12)17(14,15)9-11-5-4-6-16-11/h10-11H,3-6,8-9H2,1-2H3
InChIKeyGINIVXKBTCENLT-UHFFFAOYSA-N
XLogP0.98
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide (CID 55137240) is N-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide is CCN(CC(C)C#N)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is GINIVXKBTCENLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-3-13(8-10(2)7-12)17(14,15)9-11-5-4-6-16-11/h10-11H,3-6,8-9H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide?
N-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 55137240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).