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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Related Compounds

N-[4-(1-aminoethyl)phenyl]cyclopentanesulfonamide
CID 105361013
N-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide
CID 64553467
3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid
CID 113420004
N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide
CID 62047895
N-[4-(methylamino)phenyl]cyclohexanesulfonamide
CID 61064598
N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide
CID 30120117
N-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide
CID 65421563
4-[(1S)-1-aminoethyl]-N-methylaniline
CID 130673691
N-(3-amino-4-ethylphenyl)cyclohexanesulfonamide
CID 61065811
4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide
CID 64555165
N-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide
CID 64554918
4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
CID 43167801

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).