1-cyano-N-(4-methyloxan-4-yl)methanesulfonamide

C8H14N2O3S — CID 115766982

IUPAC1-cyano-N-(4-methyloxan-4-yl)methanesulfonamide
SMILESCC1(NS(=O)(=O)CC#N)CCOCC1
InChIInChI=1S/C8H14N2O3S/c1-8(2-5-13-6-3-8)10-14(11,12)7-4-9/h10H,2-3,5-7H2,1H3
InChIKeyGSOPBQRZBLDQSA-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.00
Rot. Bonds3

About 1-cyano-N-(4-methyloxan-4-yl)methanesulfonamide

1-cyano-N-(4-methyloxan-4-yl)methanesulfonamide (PubChem CID 115766982) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-cyano-N-(4-methyloxan-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(4-methyloxan-4-yl)methanesulfonamide
PubChem CID115766982
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name1-cyano-N-(4-methyloxan-4-yl)methanesulfonamide
SMILESCC1(NS(=O)(=O)CC#N)CCOCC1
InChIInChI=1S/C8H14N2O3S/c1-8(2-5-13-6-3-8)10-14(11,12)7-4-9/h10H,2-3,5-7H2,1H3
InChIKeyGSOPBQRZBLDQSA-UHFFFAOYSA-N
XLogP-0.00
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-methyloxan-4-yl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(4-methyloxan-4-yl)methanesulfonamide (CID 115766982) is 1-cyano-N-(4-methyloxan-4-yl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(4-methyloxan-4-yl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(4-methyloxan-4-yl)methanesulfonamide is CC1(NS(=O)(=O)CC#N)CCOCC1.
What is the InChIKey of 1-cyano-N-(4-methyloxan-4-yl)methanesulfonamide?
The InChIKey is GSOPBQRZBLDQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-8(2-5-13-6-3-8)10-14(11,12)7-4-9/h10H,2-3,5-7H2,1H3.
What are the key properties of 1-cyano-N-(4-methyloxan-4-yl)methanesulfonamide?
1-cyano-N-(4-methyloxan-4-yl)methanesulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-methyloxan-4-yl)methanesulfonamide is sourced from PubChem (CID 115766982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).