N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide

C10H13N3O2S — CID 62685886

IUPACN-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide
SMILESCN(CCN)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C10H13N3O2S/c1-13(6-5-11)16(14,15)10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,11H2,1H3
InChIKeyLTUQHRMGQNPVRC-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.14
Rot. Bonds4

About N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide

N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide (PubChem CID 62685886) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide
PubChem CID62685886
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC NameN-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide
SMILESCN(CCN)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C10H13N3O2S/c1-13(6-5-11)16(14,15)10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,11H2,1H3
InChIKeyLTUQHRMGQNPVRC-UHFFFAOYSA-N
XLogP0.14
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 47306005
3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384532
N-(3-amino-2,2-dimethylpropyl)-3-cyano-N-methylbenzenesulfonamide
CID 79652328
N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
CID 28707580
3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630767
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 9317045
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269699
3-cyano-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43429214
3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63708026
N-butyl-3-cyano-N-ethylbenzenesulfonamide
CID 24700685
3-(3-aminoprop-1-ynyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
CID 63701055

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide (CID 62685886) is N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide is CN(CCN)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide?
The InChIKey is LTUQHRMGQNPVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-13(6-5-11)16(14,15)10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,11H2,1H3.
What are the key properties of N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide?
N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide has a molecular weight of 239.30 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide is sourced from PubChem (CID 62685886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).