N-(2-cyanoethyl)-N-ethylpropane-1-sulfonamide

C8H16N2O2S — CID 39240768

IUPACN-(2-cyanoethyl)-N-ethylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC)CCC#N
InChIInChI=1S/C8H16N2O2S/c1-3-8-13(11,12)10(4-2)7-5-6-9/h3-5,7-8H2,1-2H3
InChIKeyMSRIFCYMGKZWFL-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.96
Rot. Bonds6

About N-(2-cyanoethyl)-N-ethylpropane-1-sulfonamide

N-(2-cyanoethyl)-N-ethylpropane-1-sulfonamide (PubChem CID 39240768) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethylpropane-1-sulfonamide
PubChem CID39240768
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(2-cyanoethyl)-N-ethylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC)CCC#N
InChIInChI=1S/C8H16N2O2S/c1-3-8-13(11,12)10(4-2)7-5-6-9/h3-5,7-8H2,1-2H3
InChIKeyMSRIFCYMGKZWFL-UHFFFAOYSA-N
XLogP0.96
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Dibutylethanesulfonamide
CID 303050
3-cyano-N-[2-(dimethylamino)ethyl]-N-methylpropane-1-sulfonamide
CID 71975642
N,N-dipropylethanesulfonamide
CID 303053
N,N-dipropylpropane-1-sulfonamide
CID 303060
N,N-dibutylpropane-1-sulfonamide
CID 303061
N,N-dipropylbutane-1-sulfonamide
CID 303062
N,N-diethylbutane-1-sulfonamide
CID 304056
N,N-dibutylbutane-1-sulfonamide
CID 305461
1-cyano-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 65569577
1-cyano-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 65569578
N-(2-cyanoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 82903256
N-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83058074

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethylpropane-1-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethylpropane-1-sulfonamide (CID 39240768) is N-(2-cyanoethyl)-N-ethylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethylpropane-1-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethylpropane-1-sulfonamide is CCCS(=O)(=O)N(CC)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-ethylpropane-1-sulfonamide?
The InChIKey is MSRIFCYMGKZWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-3-8-13(11,12)10(4-2)7-5-6-9/h3-5,7-8H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-ethylpropane-1-sulfonamide?
N-(2-cyanoethyl)-N-ethylpropane-1-sulfonamide has a molecular weight of 204.29 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethylpropane-1-sulfonamide is sourced from PubChem (CID 39240768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).