N-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide

C10H16N2O3S — CID 124673447

IUPACN-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide
SMILESCOc1ccccc1[C@H](N)CNS(C)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-15-10-6-4-3-5-8(10)9(11)7-12-16(2,13)14/h3-6,9,12H,7,11H2,1-2H3/t9-/m1/s1
InChIKeyUDKMGEXFVPPFED-SECBINFHSA-N
MW244.32 g/mol
LogP0.24
Rot. Bonds5

About N-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide

N-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide (PubChem CID 124673447) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide
PubChem CID124673447
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide
SMILESCOc1ccccc1[C@H](N)CNS(C)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-15-10-6-4-3-5-8(10)9(11)7-12-16(2,13)14/h3-6,9,12H,7,11H2,1-2H3/t9-/m1/s1
InChIKeyUDKMGEXFVPPFED-SECBINFHSA-N
XLogP0.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
3-ethyl-1-(2-methoxyphenyl)pentan-1-amine
CID 82919557
N-[(1R)-1-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 28560460
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116850073
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171219989

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide (CID 124673447) is N-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide is COc1ccccc1[C@H](N)CNS(C)(=O)=O.
What is the InChIKey of N-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide?
The InChIKey is UDKMGEXFVPPFED-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-15-10-6-4-3-5-8(10)9(11)7-12-16(2,13)14/h3-6,9,12H,7,11H2,1-2H3/t9-/m1/s1.
What are the key properties of N-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide?
N-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 124673447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).