2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanamide

C10H13ClN2OS — CID 103288016

IUPAC2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanamide
SMILESNC(=O)C(N)CSCc1ccccc1Cl
InChIInChI=1S/C10H13ClN2OS/c11-8-4-2-1-3-7(8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H2,13,14)
InChIKeyYXRCTIXLWSRMBI-UHFFFAOYSA-N
MW244.75 g/mol
LogP1.39
Rot. Bonds5

About 2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanamide

2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanamide (PubChem CID 103288016) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound Name2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanamide
PubChem CID103288016
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanamide
SMILESNC(=O)C(N)CSCc1ccccc1Cl
InChIInChI=1S/C10H13ClN2OS/c11-8-4-2-1-3-7(8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H2,13,14)
InChIKeyYXRCTIXLWSRMBI-UHFFFAOYSA-N
XLogP1.39
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 234909
Cysteine, S-[(2-chlorophenyl)methyl]-
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CID 875617
3-[(2-chlorobenzyl)thio]-N-cyclopentylpropanamide
CID 4615987
3-[(2-chlorobenzyl)thio]-N-cyclohexylpropanamide
CID 3379555
2-[(2,6-Dichlorobenzyl)sulfanyl]acetamide
CID 893931
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-methylacetamide
CID 848434
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-isopropylacetamide
CID 838666
2-[(2,6-dichlorobenzyl)thio]-N-methylacetamide
CID 894324
2-[(2,6-dichlorobenzyl)sulfanyl]-N-(propan-2-yl)acetamide
CID 2467184
2-[(2-Chloro-6-fluorobenzyl)sulfanyl]acetamide
CID 961808
S-Benzylcysteinamide--hydrogen chloride (1/1)
CID 24194131

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanamide?
The IUPAC name of 2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanamide (CID 103288016) is 2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanamide.
What is the SMILES notation for 2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanamide?
The canonical SMILES for 2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanamide is NC(=O)C(N)CSCc1ccccc1Cl.
What is the InChIKey of 2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanamide?
The InChIKey is YXRCTIXLWSRMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c11-8-4-2-1-3-7(8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H2,13,14).
What are the key properties of 2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanamide?
2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanamide has a molecular weight of 244.75 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 103288016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).