N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide

C15H18N2O2S — CID 59506232

IUPACN-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide
SMILESC[C@H](N)c1cccc(-c2ccc(NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C15H18N2O2S/c1-11(16)13-4-3-5-14(10-13)12-6-8-15(9-7-12)17-20(2,18)19/h3-11,17H,16H2,1-2H3/t11-/m0/s1
InChIKeyHGFDTHAOFWTUJS-NSHDSACASA-N
MW290.39 g/mol
LogP2.74
Rot. Bonds4

About N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide

N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide (PubChem CID 59506232) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide
PubChem CID59506232
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide
SMILESC[C@H](N)c1cccc(-c2ccc(NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C15H18N2O2S/c1-11(16)13-4-3-5-14(10-13)12-6-8-15(9-7-12)17-20(2,18)19/h3-11,17H,16H2,1-2H3/t11-/m0/s1
InChIKeyHGFDTHAOFWTUJS-NSHDSACASA-N
XLogP2.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
CID 42941938
(1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine
CID 171383542
1-[3-(4-fluorophenyl)phenyl]ethanamine
CID 61026318
1-[3-(4-ethylphenyl)phenyl]ethanamine
CID 55134062
2-amino-2-[3-(methanesulfonamido)phenyl]acetamide
CID 13127822
1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947673
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide
CID 54011314
1-[3-(4-ethoxyphenyl)phenyl]ethanamine
CID 54912028
1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541578
1-[3-(3,5-difluorophenyl)phenyl]ethanamine
CID 54911738
N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide
CID 16794346

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide (CID 59506232) is N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide is C[C@H](N)c1cccc(-c2ccc(NS(C)(=O)=O)cc2)c1.
What is the InChIKey of N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide?
The InChIKey is HGFDTHAOFWTUJS-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11(16)13-4-3-5-14(10-13)12-6-8-15(9-7-12)17-20(2,18)19/h3-11,17H,16H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide?
N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 59506232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).