2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone

C12H17NOS — CID 59233390

IUPAC2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone
SMILESCN(C)CCSCC(=O)c1ccccc1
InChIInChI=1S/C12H17NOS/c1-13(2)8-9-15-10-12(14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyBWZWIAWQLHQWKN-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.16
Rot. Bonds6

About 2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone

2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone (PubChem CID 59233390) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone
PubChem CID59233390
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone
SMILESCN(C)CCSCC(=O)c1ccccc1
InChIInChI=1S/C12H17NOS/c1-13(2)8-9-15-10-12(14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyBWZWIAWQLHQWKN-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone
CID 59233394
2-ethylsulfanyl-1-phenylethanone
CID 2776060
N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064867
(2-phenacylsulfanylacetyl) 2-phenacylsulfanylacetate
CID 71371728
3-phenacylsulfanylpropyl methanesulfonate
CID 90222659
17-(dimethylamino)-1-phenylheptadecan-1-one;hydrobromide
CID 175178049
2-[2-(difluoromethoxy)ethylsulfanyl]-1-phenylethanone
CID 140992676
1-[methyl-(2-phenacylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120539343
2-pentylsulfanyl-1-(4-phenylphenyl)ethanone
CID 129028325
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride
CID 119582126
2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
CID 119206349

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone (CID 59233390) is 2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone is CN(C)CCSCC(=O)c1ccccc1.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone?
The InChIKey is BWZWIAWQLHQWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-13(2)8-9-15-10-12(14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone?
2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone has a molecular weight of 223.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone is sourced from PubChem (CID 59233390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).