N-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide

C10H20N2O3S — CID 55208208

IUPACN-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)N(CCC#N)CC(C)C
InChIInChI=1S/C10H20N2O3S/c1-10(2)9-12(6-4-5-11)16(13,14)8-7-15-3/h10H,4,6-9H2,1-3H3
InChIKeyIICZFFASZJVHHC-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.83
Rot. Bonds8

About N-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide

N-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide (PubChem CID 55208208) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide
PubChem CID55208208
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)N(CCC#N)CC(C)C
InChIInChI=1S/C10H20N2O3S/c1-10(2)9-12(6-4-5-11)16(13,14)8-7-15-3/h10H,4,6-9H2,1-3H3
InChIKeyIICZFFASZJVHHC-UHFFFAOYSA-N
XLogP0.83
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-ethyl-1-(oxolan-3-yl)methanesulfonamide
CID 56789899
N-ethyl-2-methoxy-N-propylethanesulfonamide
CID 123769076
2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide
CID 171753729
Ethyl 2-[2-cyanopropyl(ethyl)sulfamoyl]acetate
CID 54988635
N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide
CID 55031206
N-(2-cyanoethyl)-3-methoxy-N-(2-methylpropyl)propane-1-sulfonamide
CID 55170764
1-cyano-N,N-bis(2-methylpropyl)methanesulfonamide
CID 55206618
N-(2-cyanoethyl)-2-methoxy-N-propan-2-ylethanesulfonamide
CID 55207224
N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
CID 55208605
N-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide
CID 55211798
N-(2-cyanoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55218598
N-(cyanomethyl)-3-methoxy-N-propylpropane-1-sulfonamide
CID 55218599

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide (CID 55208208) is N-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide is COCCS(=O)(=O)N(CCC#N)CC(C)C.
What is the InChIKey of N-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide?
The InChIKey is IICZFFASZJVHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-10(2)9-12(6-4-5-11)16(13,14)8-7-15-3/h10H,4,6-9H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide?
N-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide has a molecular weight of 248.35 g/mol, XLogP of 0.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide is sourced from PubChem (CID 55208208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).