N-[4-(1-aminoethyl)phenyl]methanesulfonamide

C9H14N2O2S — CID 16785149

IUPACN-[4-(1-aminoethyl)phenyl]methanesulfonamide
SMILESCC(N)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C9H14N2O2S/c1-7(10)8-3-5-9(6-4-8)11-14(2,12)13/h3-7,11H,10H2,1-2H3
InChIKeyDCEDNQCQVNFNSU-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.08
Rot. Bonds3

About N-[4-(1-aminoethyl)phenyl]methanesulfonamide

N-[4-(1-aminoethyl)phenyl]methanesulfonamide (PubChem CID 16785149) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]methanesulfonamide
PubChem CID16785149
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-[4-(1-aminoethyl)phenyl]methanesulfonamide
SMILESCC(N)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C9H14N2O2S/c1-7(10)8-3-5-9(6-4-8)11-14(2,12)13/h3-7,11H,10H2,1-2H3
InChIKeyDCEDNQCQVNFNSU-UHFFFAOYSA-N
XLogP1.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]methanesulfonamide (CID 16785149) is N-[4-(1-aminoethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]methanesulfonamide is CC(N)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]methanesulfonamide?
The InChIKey is DCEDNQCQVNFNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7(10)8-3-5-9(6-4-8)11-14(2,12)13/h3-7,11H,10H2,1-2H3.
What are the key properties of N-[4-(1-aminoethyl)phenyl]methanesulfonamide?
N-[4-(1-aminoethyl)phenyl]methanesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 16785149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).