N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide

C9H12N2O3S — CID 54011314

IUPACN-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc([C@@H](N)C=O)c1
InChIInChI=1S/C9H12N2O3S/c1-15(13,14)11-8-4-2-3-7(5-8)9(10)6-12/h2-6,9,11H,10H2,1H3/t9-/m0/s1
InChIKeyCVYRUXUZIOPMHK-VIFPVBQESA-N
MW228.27 g/mol
LogP0.26
Rot. Bonds4

About N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide

N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide (PubChem CID 54011314) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide
PubChem CID54011314
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc([C@@H](N)C=O)c1
InChIInChI=1S/C9H12N2O3S/c1-15(13,14)11-8-4-2-3-7(5-8)9(10)6-12/h2-6,9,11H,10H2,1H3/t9-/m0/s1
InChIKeyCVYRUXUZIOPMHK-VIFPVBQESA-N
XLogP0.26
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
CID 42941938
N-[3-(4-oxobutan-2-yl)phenyl]methanesulfonamide
CID 117355560
2-amino-2-[3-(methanesulfonamido)phenyl]acetamide
CID 13127822
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
N-[3-(methanesulfonamido)phenyl]formamide
CID 54434866
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081
2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride
CID 21128674
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide
CID 59506232
N-[3-(3-oxopropyl)phenyl]methanesulfonamide
CID 57444373
lithium 3-(methanesulfonamido)benzenesulfonate
CID 58858821
N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
CID 43109245

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide (CID 54011314) is N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc([C@@H](N)C=O)c1.
What is the InChIKey of N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide?
The InChIKey is CVYRUXUZIOPMHK-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-15(13,14)11-8-4-2-3-7(5-8)9(10)6-12/h2-6,9,11H,10H2,1H3/t9-/m0/s1.
What are the key properties of N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide?
N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide has a molecular weight of 228.27 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 54011314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).