(2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine

C12H19NOS — CID 124594306

IUPAC(2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine
SMILESC[C@H](C[S@](C)=O)N(C)Cc1ccccc1
InChIInChI=1S/C12H19NOS/c1-11(10-15(3)14)13(2)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t11-,15+/m1/s1
InChIKeyQNVFOUAMZDXEEL-ABAIWWIYSA-N
MW225.36 g/mol
LogP1.89
Rot. Bonds5

About (2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine

(2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine (PubChem CID 124594306) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is (2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine
PubChem CID124594306
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name(2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine
SMILESC[C@H](C[S@](C)=O)N(C)Cc1ccccc1
InChIInChI=1S/C12H19NOS/c1-11(10-15(3)14)13(2)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t11-,15+/m1/s1
InChIKeyQNVFOUAMZDXEEL-ABAIWWIYSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
N-benzyl-N-methylbutan-2-amine
CID 15496809
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
2-fluoro-5-[[methyl(1-methylsulfinylpropan-2-yl)amino]methyl]benzonitrile
CID 75509229
N-benzyl-N-methylheptan-2-amine
CID 101048002
2-N-benzyl-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62424367
methyl (3R)-3-[benzyl(methyl)amino]butanoate
CID 11680162
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
2-[benzyl(methyl)amino]propyl carbonochloridate
CID 22165929
N'-benzyl-N'-methyl-1-phenylmethanediamine
CID 118464289
N-benzyl-1-phenyl-N-(trideuteriomethyl)propan-2-amine;hydrochloride
CID 71313724
N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide
CID 131141172

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine?
The IUPAC name of (2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine (CID 124594306) is (2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine.
What is the SMILES notation for (2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine?
The canonical SMILES for (2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine is C[C@H](C[S@](C)=O)N(C)Cc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine?
The InChIKey is QNVFOUAMZDXEEL-ABAIWWIYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-11(10-15(3)14)13(2)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t11-,15+/m1/s1.
What are the key properties of (2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine?
(2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine is sourced from PubChem (CID 124594306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).