N-(1-cyanobutyl)-2-methylsulfonylethanesulfonamide

C8H16N2O4S2 — CID 55219325

IUPACN-(1-cyanobutyl)-2-methylsulfonylethanesulfonamide
SMILESCCCC(C#N)NS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H16N2O4S2/c1-3-4-8(7-9)10-16(13,14)6-5-15(2,11)12/h8,10H,3-6H2,1-2H3
InChIKeyZOTYUGDYWJUTPO-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.36
Rot. Bonds7

About N-(1-cyanobutyl)-2-methylsulfonylethanesulfonamide

N-(1-cyanobutyl)-2-methylsulfonylethanesulfonamide (PubChem CID 55219325) has the molecular formula C8H16N2O4S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(1-cyanobutyl)-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-2-methylsulfonylethanesulfonamide
PubChem CID55219325
Molecular FormulaC8H16N2O4S2
Molecular Weight268.36 g/mol
Exact Mass268.06
IUPAC NameN-(1-cyanobutyl)-2-methylsulfonylethanesulfonamide
SMILESCCCC(C#N)NS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H16N2O4S2/c1-3-4-8(7-9)10-16(13,14)6-5-15(2,11)12/h8,10H,3-6H2,1-2H3
InChIKeyZOTYUGDYWJUTPO-UHFFFAOYSA-N
XLogP-0.36
TPSA104.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-cyanobutyl)-2-methylsulfonylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyanobutyl)propane-1-sulfonamide
CID 63297375
3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide
CID 89350528
N-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide
CID 146644275
1-cyano-N-(4-cyanobutyl)butane-1-sulfonamide
CID 151596603
N-(3-cyanopropyl)hexane-2-sulfonamide
CID 151612220
N-butyl-1-cyanobutane-1-sulfonamide
CID 153989592
N-butyl-1-cyanopentane-1-sulfonamide
CID 153989623
1-cyano-N-(3-cyanopropyl)pentane-1-sulfonamide
CID 153989634
N-(4-cyanobutyl)pentane-1-sulfonamide
CID 153989855
N-(3-cyanopropyl)pentane-1-sulfonamide
CID 153989856
3-N,3-N'-bis(3-cyanopropyl)pentane-3,3-disulfonamide
CID 157749596
1-N,1-N'-bis(3-cyanopropyl)ethane-1,1-disulfonamide
CID 159154720

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(1-cyanobutyl)-2-methylsulfonylethanesulfonamide (CID 55219325) is N-(1-cyanobutyl)-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(1-cyanobutyl)-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(1-cyanobutyl)-2-methylsulfonylethanesulfonamide is CCCC(C#N)NS(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(1-cyanobutyl)-2-methylsulfonylethanesulfonamide?
The InChIKey is ZOTYUGDYWJUTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S2/c1-3-4-8(7-9)10-16(13,14)6-5-15(2,11)12/h8,10H,3-6H2,1-2H3.
What are the key properties of N-(1-cyanobutyl)-2-methylsulfonylethanesulfonamide?
N-(1-cyanobutyl)-2-methylsulfonylethanesulfonamide has a molecular weight of 268.36 g/mol, XLogP of -0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 55219325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).