(1R)-N-[dihydroxy(methyl)-λ4-sulfanyl]-1-phenylethanamine

C9H15NO2S — CID 143447840

IUPAC(1R)-N-[dihydroxy(methyl)-λ4-sulfanyl]-1-phenylethanamine
SMILESC[C@@H](NS(C)(O)O)c1ccccc1
InChIInChI=1S/C9H15NO2S/c1-8(10-13(2,11)12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-/m1/s1
InChIKeyWQIKRSHNSCKWQR-MRVPVSSYSA-N
MW201.29 g/mol
LogP2.63
Rot. Bonds3

About (1R)-N-[dihydroxy(methyl)-λ4-sulfanyl]-1-phenylethanamine

(1R)-N-[dihydroxy(methyl)-λ4-sulfanyl]-1-phenylethanamine (PubChem CID 143447840) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is (1R)-N-[dihydroxy(methyl)-λ4-sulfanyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[dihydroxy(methyl)-λ4-sulfanyl]-1-phenylethanamine
PubChem CID143447840
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name(1R)-N-[dihydroxy(methyl)-λ4-sulfanyl]-1-phenylethanamine
SMILESC[C@@H](NS(C)(O)O)c1ccccc1
InChIInChI=1S/C9H15NO2S/c1-8(10-13(2,11)12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-/m1/s1
InChIKeyWQIKRSHNSCKWQR-MRVPVSSYSA-N
XLogP2.63
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
CID 22831491
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304
2-amino-N-(1-phenylethyl)benzenesulfonamide
CID 16788499
1,2-diphenylethane-1,2-diol;methanesulfonic acid
CID 57363902
N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 27299317
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422
2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148
2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
CID 19680818
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[dihydroxy(methyl)-λ4-sulfanyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[dihydroxy(methyl)-λ4-sulfanyl]-1-phenylethanamine (CID 143447840) is (1R)-N-[dihydroxy(methyl)-λ4-sulfanyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[dihydroxy(methyl)-λ4-sulfanyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[dihydroxy(methyl)-λ4-sulfanyl]-1-phenylethanamine is C[C@@H](NS(C)(O)O)c1ccccc1.
What is the InChIKey of (1R)-N-[dihydroxy(methyl)-λ4-sulfanyl]-1-phenylethanamine?
The InChIKey is WQIKRSHNSCKWQR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-8(10-13(2,11)12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-N-[dihydroxy(methyl)-λ4-sulfanyl]-1-phenylethanamine?
(1R)-N-[dihydroxy(methyl)-λ4-sulfanyl]-1-phenylethanamine has a molecular weight of 201.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[dihydroxy(methyl)-λ4-sulfanyl]-1-phenylethanamine is sourced from PubChem (CID 143447840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).