N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide

C10H13NO3S — CID 86691231

IUPACN-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide
SMILESC[C@@H](NS(C)(=O)=O)c1ccc(C=O)cc1
InChIInChI=1S/C10H13NO3S/c1-8(11-15(2,13)14)10-5-3-9(7-12)4-6-10/h3-8,11H,1-2H3/t8-/m1/s1
InChIKeyNZANNRRPTURUBK-MRVPVSSYSA-N
MW227.28 g/mol
LogP1.11
Rot. Bonds4

About N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide

N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide (PubChem CID 86691231) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide
PubChem CID86691231
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide
SMILESC[C@@H](NS(C)(=O)=O)c1ccc(C=O)cc1
InChIInChI=1S/C10H13NO3S/c1-8(11-15(2,13)14)10-5-3-9(7-12)4-6-10/h3-8,11H,1-2H3/t8-/m1/s1
InChIKeyNZANNRRPTURUBK-MRVPVSSYSA-N
XLogP1.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S)-1-hydrazinylethyl]benzaldehyde
CID 87419135
4-[(1R)-1-hydrazinylethyl]benzaldehyde
CID 89028166
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide
CID 47319168
4-propan-2-ylbenzaldehyde
CID 326
[(1S)-1-(4-formylphenyl)ethyl]carbamic acid
CID 118959221
N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
CID 47121816
N-(1-naphthalen-2-ylethyl)methanesulfonamide
CID 3715918
4-[(1R)-1-fluoroethyl]benzaldehyde
CID 124547500
ethane;iodomethane;4-propan-2-ylbenzaldehyde
CID 145474217
N-[(1S)-1-(3-methylphenyl)ethyl]methanesulfonamide
CID 81360320
N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide
CID 163970915

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide (CID 86691231) is N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide is C[C@@H](NS(C)(=O)=O)c1ccc(C=O)cc1.
What is the InChIKey of N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide?
The InChIKey is NZANNRRPTURUBK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-8(11-15(2,13)14)10-5-3-9(7-12)4-6-10/h3-8,11H,1-2H3/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide?
N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide has a molecular weight of 227.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 86691231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).