(2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide

C10H13ClN2OS — CID 119317108

IUPAC(2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)[C@H](C)N)cc1Cl
InChIInChI=1S/C10H13ClN2OS/c1-6(12)10(14)13-7-3-4-9(15-2)8(11)5-7/h3-6H,12H2,1-2H3,(H,13,14)/t6-/m0/s1
InChIKeyFESURLIRIMEDKY-LURJTMIESA-N
MW244.75 g/mol
LogP2.35
Rot. Bonds3

About (2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide

(2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide (PubChem CID 119317108) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide
PubChem CID119317108
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name(2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)[C@H](C)N)cc1Cl
InChIInChI=1S/C10H13ClN2OS/c1-6(12)10(14)13-7-3-4-9(15-2)8(11)5-7/h3-6H,12H2,1-2H3,(H,13,14)/t6-/m0/s1
InChIKeyFESURLIRIMEDKY-LURJTMIESA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide
CID 119772469
4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride
CID 120562198
2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide
CID 156652616
4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid
CID 78973494
methyl 4-[[(2S)-2-aminopropanoyl]amino]-2-chlorobenzoate
CID 119329500
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 43711074
(2S)-2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273769
2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273773

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide (CID 119317108) is (2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide is CSc1ccc(NC(=O)[C@H](C)N)cc1Cl.
What is the InChIKey of (2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide?
The InChIKey is FESURLIRIMEDKY-LURJTMIESA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-6(12)10(14)13-7-3-4-9(15-2)8(11)5-7/h3-6H,12H2,1-2H3,(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide?
(2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide has a molecular weight of 244.75 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 119317108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).