N-[2-(1-aminoethyl)-6-cyanophenyl]-N-methylmethanesulfonamide

C11H15N3O2S — CID 134455308

IUPACN-[2-(1-aminoethyl)-6-cyanophenyl]-N-methylmethanesulfonamide
SMILESCC(N)c1cccc(C#N)c1N(C)S(C)(=O)=O
InChIInChI=1S/C11H15N3O2S/c1-8(13)10-6-4-5-9(7-12)11(10)14(2)17(3,15)16/h4-6,8H,13H2,1-3H3
InChIKeyZFROWMRWOWKSFP-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.97
Rot. Bonds3

About N-[2-(1-aminoethyl)-6-cyanophenyl]-N-methylmethanesulfonamide

N-[2-(1-aminoethyl)-6-cyanophenyl]-N-methylmethanesulfonamide (PubChem CID 134455308) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)-6-cyanophenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)-6-cyanophenyl]-N-methylmethanesulfonamide
PubChem CID134455308
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-[2-(1-aminoethyl)-6-cyanophenyl]-N-methylmethanesulfonamide
SMILESCC(N)c1cccc(C#N)c1N(C)S(C)(=O)=O
InChIInChI=1S/C11H15N3O2S/c1-8(13)10-6-4-5-9(7-12)11(10)14(2)17(3,15)16/h4-6,8H,13H2,1-3H3
InChIKeyZFROWMRWOWKSFP-UHFFFAOYSA-N
XLogP0.97
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)-6-cyanophenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-(1-aminoethyl)-6-cyanophenyl]-N-methylmethanesulfonamide (CID 134455308) is N-[2-(1-aminoethyl)-6-cyanophenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-(1-aminoethyl)-6-cyanophenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-(1-aminoethyl)-6-cyanophenyl]-N-methylmethanesulfonamide is CC(N)c1cccc(C#N)c1N(C)S(C)(=O)=O.
What is the InChIKey of N-[2-(1-aminoethyl)-6-cyanophenyl]-N-methylmethanesulfonamide?
The InChIKey is ZFROWMRWOWKSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-8(13)10-6-4-5-9(7-12)11(10)14(2)17(3,15)16/h4-6,8H,13H2,1-3H3.
What are the key properties of N-[2-(1-aminoethyl)-6-cyanophenyl]-N-methylmethanesulfonamide?
N-[2-(1-aminoethyl)-6-cyanophenyl]-N-methylmethanesulfonamide has a molecular weight of 253.33 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethyl)-6-cyanophenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 134455308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).