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

C9H16N2O3S — CID 62732566

IUPACN-(cyanomethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCN(CC#N)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H16N2O3S/c1-2-11(6-5-10)15(12,13)8-9-4-3-7-14-9/h9H,2-4,6-8H2,1H3
InChIKeySIPRKDIFPDMPRT-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.34
Rot. Bonds5

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

N-(cyanomethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 62732566) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-(cyanomethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID62732566
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-(cyanomethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCN(CC#N)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H16N2O3S/c1-2-11(6-5-10)15(12,13)8-9-4-3-7-14-9/h9H,2-4,6-8H2,1H3
InChIKeySIPRKDIFPDMPRT-UHFFFAOYSA-N
XLogP0.34
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(cyanomethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide (CID 62732566) is N-(cyanomethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(cyanomethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(cyanomethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide is CCN(CC#N)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(cyanomethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is SIPRKDIFPDMPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-2-11(6-5-10)15(12,13)8-9-4-3-7-14-9/h9H,2-4,6-8H2,1H3.
What are the key properties of N-(cyanomethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide?
N-(cyanomethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 232.30 g/mol, XLogP of 0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 62732566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).