(2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide

C13H19NOS2 — CID 97214831

IUPAC(2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide
SMILESCSC[C@@H](NC(=O)[C@@H](C)SC)c1ccccc1
InChIInChI=1S/C13H19NOS2/c1-10(17-3)13(15)14-12(9-16-2)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,14,15)/t10-,12-/m1/s1
InChIKeyBZGWLKAYEALNOV-ZYHUDNBSSA-N
MW269.44 g/mol
LogP2.96
Rot. Bonds6

About (2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide

(2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide (PubChem CID 97214831) has the molecular formula C13H19NOS2 and a molecular weight of 269.44 g/mol. Its IUPAC name is (2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide
PubChem CID97214831
Molecular FormulaC13H19NOS2
Molecular Weight269.44 g/mol
Exact Mass269.09
IUPAC Name(2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide
SMILESCSC[C@@H](NC(=O)[C@@H](C)SC)c1ccccc1
InChIInChI=1S/C13H19NOS2/c1-10(17-3)13(15)14-12(9-16-2)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,14,15)/t10-,12-/m1/s1
InChIKeyBZGWLKAYEALNOV-ZYHUDNBSSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide
CID 75372358
(2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide
CID 95274469
(2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide
CID 93487870
(2S)-2-benzylsulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 94020092
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 75517861
(2S)-2-[(2-methylsulfanyl-1-phenylethyl)amino]propan-1-ol
CID 103789127
3-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 61159315
2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
CID 113258887
N-(2-benzylsulfanyl-1-phenylethyl)acetamide
CID 13447277
3-phenyl-3-(2-pyridin-2-ylsulfanylpropanoylamino)propanoic acid
CID 53215548

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide?
The IUPAC name of (2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide (CID 97214831) is (2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide.
What is the SMILES notation for (2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide?
The canonical SMILES for (2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide is CSC[C@@H](NC(=O)[C@@H](C)SC)c1ccccc1.
What is the InChIKey of (2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide?
The InChIKey is BZGWLKAYEALNOV-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H19NOS2/c1-10(17-3)13(15)14-12(9-16-2)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,14,15)/t10-,12-/m1/s1.
What are the key properties of (2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide?
(2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide has a molecular weight of 269.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide is sourced from PubChem (CID 97214831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).