N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide

C11H18N2O2S — CID 30120117

IUPACN-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc([C@H](C)N)cc1
InChIInChI=1S/C11H18N2O2S/c1-3-8-16(14,15)13-11-6-4-10(5-7-11)9(2)12/h4-7,9,13H,3,8,12H2,1-2H3/t9-/m0/s1
InChIKeyBKEUHDRGFFHONP-VIFPVBQESA-N
MW242.34 g/mol
LogP1.86
Rot. Bonds5

About N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide

N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide (PubChem CID 30120117) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide
PubChem CID30120117
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc([C@H](C)N)cc1
InChIInChI=1S/C11H18N2O2S/c1-3-8-16(14,15)13-11-6-4-10(5-7-11)9(2)12/h4-7,9,13H,3,8,12H2,1-2H3/t9-/m0/s1
InChIKeyBKEUHDRGFFHONP-VIFPVBQESA-N
XLogP1.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide (CID 30120117) is N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc([C@H](C)N)cc1.
What is the InChIKey of N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide?
The InChIKey is BKEUHDRGFFHONP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-8-16(14,15)13-11-6-4-10(5-7-11)9(2)12/h4-7,9,13H,3,8,12H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide?
N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 30120117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).