(2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide

C12H18N2OS — CID 78971913

IUPAC(2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCSc1ccc(C(C)NC(=O)[C@@H](C)N)cc1
InChIInChI=1S/C12H18N2OS/c1-8(13)12(15)14-9(2)10-4-6-11(16-3)7-5-10/h4-9H,13H2,1-3H3,(H,14,15)/t8-,9?/m1/s1
InChIKeyDTWZTKUNQVAKJL-VEDVMXKPSA-N
MW238.36 g/mol
LogP1.93
Rot. Bonds4

About (2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide

(2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide (PubChem CID 78971913) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
PubChem CID78971913
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name(2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCSc1ccc(C(C)NC(=O)[C@@H](C)N)cc1
InChIInChI=1S/C12H18N2OS/c1-8(13)12(15)14-9(2)10-4-6-11(16-3)7-5-10/h4-9H,13H2,1-3H3,(H,14,15)/t8-,9?/m1/s1
InChIKeyDTWZTKUNQVAKJL-VEDVMXKPSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43698352
3-amino-4-[1-(4-methylsulfanylphenyl)ethylamino]-4-oxobutanoic acid
CID 64894329
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide
CID 65224904
methyl 3-[[(2R)-2-aminopropanoyl]amino]-3-(4-methylsulfanylphenyl)propanoate
CID 119318306
2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 43699540
2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate
CID 79346209
(2S)-2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273769

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide (CID 78971913) is (2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide is CSc1ccc(C(C)NC(=O)[C@@H](C)N)cc1.
What is the InChIKey of (2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide?
The InChIKey is DTWZTKUNQVAKJL-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8(13)12(15)14-9(2)10-4-6-11(16-3)7-5-10/h4-9H,13H2,1-3H3,(H,14,15)/t8-,9?/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide?
(2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide has a molecular weight of 238.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide is sourced from PubChem (CID 78971913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).