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

C11H16N2O2S — CID 64553254

IUPACN-[4-(1-aminoethyl)phenyl]cyclopropanesulfonamide
SMILESCC(N)c1ccc(NS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C11H16N2O2S/c1-8(12)9-2-4-10(5-3-9)13-16(14,15)11-6-7-11/h2-5,8,11,13H,6-7,12H2,1H3
InChIKeySXMYDSHYZHJOGM-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.61
Rot. Bonds4

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

N-[4-(1-aminoethyl)phenyl]cyclopropanesulfonamide (PubChem CID 64553254) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]cyclopropanesulfonamide
PubChem CID64553254
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-[4-(1-aminoethyl)phenyl]cyclopropanesulfonamide
SMILESCC(N)c1ccc(NS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C11H16N2O2S/c1-8(12)9-2-4-10(5-3-9)13-16(14,15)11-6-7-11/h2-5,8,11,13H,6-7,12H2,1H3
InChIKeySXMYDSHYZHJOGM-UHFFFAOYSA-N
XLogP1.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.61
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]cyclopropanesulfonamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]cyclopropanesulfonamide (CID 64553254) is N-[4-(1-aminoethyl)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]cyclopropanesulfonamide is CC(N)c1ccc(NS(=O)(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]cyclopropanesulfonamide?
The InChIKey is SXMYDSHYZHJOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(12)9-2-4-10(5-3-9)13-16(14,15)11-6-7-11/h2-5,8,11,13H,6-7,12H2,1H3.
What are the key properties of N-[4-(1-aminoethyl)phenyl]cyclopropanesulfonamide?
N-[4-(1-aminoethyl)phenyl]cyclopropanesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.61, 4 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]cyclopropanesulfonamide is sourced from PubChem (CID 64553254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).