(1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine

C10H15NOS — CID 95757276

IUPAC(1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine
SMILESCN[C@@H](C)c1ccc([S@](C)=O)cc1
InChIInChI=1S/C10H15NOS/c1-8(11-2)9-4-6-10(7-5-9)13(3)12/h4-8,11H,1-3H3/t8-,13-/m0/s1
InChIKeySCSJPBNMIUJMPJ-SDBXPKJASA-N
MW197.30 g/mol
LogP1.70
Rot. Bonds3

About (1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine

(1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine (PubChem CID 95757276) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine
PubChem CID95757276
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine
SMILESCN[C@@H](C)c1ccc([S@](C)=O)cc1
InChIInChI=1S/C10H15NOS/c1-8(11-2)9-4-6-10(7-5-9)13(3)12/h4-8,11H,1-3H3/t8-,13-/m0/s1
InChIKeySCSJPBNMIUJMPJ-SDBXPKJASA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopropan-1-amine
CID 115716812
(1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine
CID 98870236
2-methylsulfanyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]acetamide
CID 97088499
2-methylsulfanyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]acetamide
CID 97088501
N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
CID 78797054
2-(3,4-difluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]propan-1-amine
CID 84588842
(1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane
CID 143698320
4-[(1R)-1-(methylamino)ethyl]benzoic acid
CID 55276325
4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43507020
2-(4-methylsulfinylphenyl)butane-1,3-diamine
CID 57238144
ethane;N-methyl-1-phenylethanamine
CID 91444453
1-[(1R)-1-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]-4-[(S)-methylsulfinyl]benzene
CID 97088520

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine?
The IUPAC name of (1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine (CID 95757276) is (1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine.
What is the SMILES notation for (1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine?
The canonical SMILES for (1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine is CN[C@@H](C)c1ccc([S@](C)=O)cc1.
What is the InChIKey of (1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine?
The InChIKey is SCSJPBNMIUJMPJ-SDBXPKJASA-N. The full InChI is InChI=1S/C10H15NOS/c1-8(11-2)9-4-6-10(7-5-9)13(3)12/h4-8,11H,1-3H3/t8-,13-/m0/s1.
What are the key properties of (1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine?
(1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine has a molecular weight of 197.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine is sourced from PubChem (CID 95757276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).