1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide

C8H16N2O3S — CID 79387334

IUPAC1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)CC#N
InChIInChI=1S/C8H16N2O3S/c1-4-10(7-8(2,3)11)14(12,13)6-5-9/h11H,4,6-7H2,1-3H3
InChIKeyMCERQOLFTDTNRD-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.07
Rot. Bonds5

About 1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide

1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide (PubChem CID 79387334) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
PubChem CID79387334
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)CC#N
InChIInChI=1S/C8H16N2O3S/c1-4-10(7-8(2,3)11)14(12,13)6-5-9/h11H,4,6-7H2,1-3H3
InChIKeyMCERQOLFTDTNRD-UHFFFAOYSA-N
XLogP-0.07
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide (CID 79387334) is 1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide is CCN(CC(C)(C)O)S(=O)(=O)CC#N.
What is the InChIKey of 1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The InChIKey is MCERQOLFTDTNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-4-10(7-8(2,3)11)14(12,13)6-5-9/h11H,4,6-7H2,1-3H3.
What are the key properties of 1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide has a molecular weight of 220.29 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 79387334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).