2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide

C13H19ClN2OS — CID 114233522

IUPAC2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide
SMILESCC(N)C(SCC(=O)N(C)C)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2OS/c1-9(15)13(18-8-12(17)16(2)3)10-5-4-6-11(14)7-10/h4-7,9,13H,8,15H2,1-3H3
InChIKeyYQYRWUNFMYXTCB-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.55
Rot. Bonds5

About 2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide

2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide (PubChem CID 114233522) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide
PubChem CID114233522
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide
SMILESCC(N)C(SCC(=O)N(C)C)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2OS/c1-9(15)13(18-8-12(17)16(2)3)10-5-4-6-11(14)7-10/h4-7,9,13H,8,15H2,1-3H3
InChIKeyYQYRWUNFMYXTCB-UHFFFAOYSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 62647172
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide
CID 112777252
2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide
CID 55019790
ethyl 2-[2-amino-1-(3-fluorophenyl)propyl]sulfanylacetate
CID 55019544
(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide
CID 61157254
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
CID 62979536
N-[(3-chlorophenyl)methyl]-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide
CID 66136572
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
3-(3-chlorophenyl)butanoic acid
CID 71683749
1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine
CID 62645584
(2S)-2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 93469731

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide (CID 114233522) is 2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide is CC(N)C(SCC(=O)N(C)C)c1cccc(Cl)c1.
What is the InChIKey of 2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide?
The InChIKey is YQYRWUNFMYXTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-9(15)13(18-8-12(17)16(2)3)10-5-4-6-11(14)7-10/h4-7,9,13H,8,15H2,1-3H3.
What are the key properties of 2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide?
2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide has a molecular weight of 286.83 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 114233522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).