3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide

C12H17ClN2OS — CID 103289753

IUPAC3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(CSCc1ccccc1Cl)C(N)=O
InChIInChI=1S/C12H17ClN2OS/c1-12(15-2,11(14)16)8-17-7-9-5-3-4-6-10(9)13/h3-6,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyLMBXQKQCLLYXQT-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.04
Rot. Bonds6

About 3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide

3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide (PubChem CID 103289753) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide
PubChem CID103289753
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(CSCc1ccccc1Cl)C(N)=O
InChIInChI=1S/C12H17ClN2OS/c1-12(15-2,11(14)16)8-17-7-9-5-3-4-6-10(9)13/h3-6,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyLMBXQKQCLLYXQT-UHFFFAOYSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanoic acid
CID 103289692
ethyl 5-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)pentanoate
CID 103289693
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
2-[(2-chlorophenyl)methylsulfanyl]-2-methylpropanoic acid
CID 79015641
4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide
CID 103289605
methyl 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)butanoate
CID 103289639
S-[(2-chlorophenyl)methyl] carbamothioate
CID 174461551
methyl 4-[(2-chlorophenyl)methylsulfanyl]-2-(ethylamino)-2-methylbutanoate
CID 103289736
3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol
CID 103291354
ethyl 4-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethyl-3-oxobutanoate
CID 103289000
1-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-propylurea
CID 100748298
ethyl 3-[(2-chlorophenyl)methylsulfanyl]-2-(ethylamino)propanoate
CID 103289594

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide (CID 103289753) is 3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide is CNC(C)(CSCc1ccccc1Cl)C(N)=O.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide?
The InChIKey is LMBXQKQCLLYXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-12(15-2,11(14)16)8-17-7-9-5-3-4-6-10(9)13/h3-6,15H,7-8H2,1-2H3,(H2,14,16).
What are the key properties of 3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide?
3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide has a molecular weight of 272.80 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 103289753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).