5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide

C14H18N2O3S — CID 103990150

IUPAC5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide
SMILESCOC1(CNS(=O)(=O)c2cc(C#N)ccc2C)CCC1
InChIInChI=1S/C14H18N2O3S/c1-11-4-5-12(9-15)8-13(11)20(17,18)16-10-14(19-2)6-3-7-14/h4-5,8,16H,3,6-7,10H2,1-2H3
InChIKeyPCKVLGXILVLADB-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.71
Rot. Bonds5

About 5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide

5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 103990150) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide
PubChem CID103990150
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide
SMILESCOC1(CNS(=O)(=O)c2cc(C#N)ccc2C)CCC1
InChIInChI=1S/C14H18N2O3S/c1-11-4-5-12(9-15)8-13(11)20(17,18)16-10-14(19-2)6-3-7-14/h4-5,8,16H,3,6-7,10H2,1-2H3
InChIKeyPCKVLGXILVLADB-UHFFFAOYSA-N
XLogP1.71
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide 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

4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 103990185
5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
CID 103743788
5-cyano-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 115628616
5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 115902839
N-[(1-aminocycloheptyl)methyl]-4-cyano-2-methylbenzenesulfonamide
CID 119998644
3-(aminomethyl)-N-[(1-methoxycyclobutyl)methyl]-4-methylbenzenesulfonamide
CID 106091014
5-cyano-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616340
5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974339
4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106091011
5-fluoro-N-[(1-methoxycyclobutyl)methyl]-2-(methylaminomethyl)benzenesulfonamide
CID 106090970
5-cyano-N-ethoxy-2-methylbenzenesulfonamide
CID 64973950
N-(4-aminobutyl)-5-cyano-2-methylbenzenesulfonamide;hydrochloride
CID 120583646

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide (CID 103990150) is 5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide is COC1(CNS(=O)(=O)c2cc(C#N)ccc2C)CCC1.
What is the InChIKey of 5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is PCKVLGXILVLADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11-4-5-12(9-15)8-13(11)20(17,18)16-10-14(19-2)6-3-7-14/h4-5,8,16H,3,6-7,10H2,1-2H3.
What are the key properties of 5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide?
5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 103990150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).