N-[2-(dimethylamino)ethyl]-2-(2,3-dimethylphenoxy)ethanethioamide

C14H22N2OS — CID 19853185

IUPACN-[2-(dimethylamino)ethyl]-2-(2,3-dimethylphenoxy)ethanethioamide
SMILESCc1cccc(OCC(=S)NCCN(C)C)c1C
InChIInChI=1S/C14H22N2OS/c1-11-6-5-7-13(12(11)2)17-10-14(18)15-8-9-16(3)4/h5-7H,8-10H2,1-4H3,(H,15,18)
InChIKeyDOPIKHUKCXOKRA-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.16
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-(2,3-dimethylphenoxy)ethanethioamide

N-[2-(dimethylamino)ethyl]-2-(2,3-dimethylphenoxy)ethanethioamide (PubChem CID 19853185) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(2,3-dimethylphenoxy)ethanethioamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(2,3-dimethylphenoxy)ethanethioamide
PubChem CID19853185
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(2,3-dimethylphenoxy)ethanethioamide
SMILESCc1cccc(OCC(=S)NCCN(C)C)c1C
InChIInChI=1S/C14H22N2OS/c1-11-6-5-7-13(12(11)2)17-10-14(18)15-8-9-16(3)4/h5-7H,8-10H2,1-4H3,(H,15,18)
InChIKeyDOPIKHUKCXOKRA-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2,3-dimethylphenoxy)ethanethioamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2,3-dimethylphenoxy)ethanethioamide (CID 19853185) is N-[2-(dimethylamino)ethyl]-2-(2,3-dimethylphenoxy)ethanethioamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(2,3-dimethylphenoxy)ethanethioamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(2,3-dimethylphenoxy)ethanethioamide is Cc1cccc(OCC(=S)NCCN(C)C)c1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(2,3-dimethylphenoxy)ethanethioamide?
The InChIKey is DOPIKHUKCXOKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-6-5-7-13(12(11)2)17-10-14(18)15-8-9-16(3)4/h5-7H,8-10H2,1-4H3,(H,15,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(2,3-dimethylphenoxy)ethanethioamide?
N-[2-(dimethylamino)ethyl]-2-(2,3-dimethylphenoxy)ethanethioamide has a molecular weight of 266.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(2,3-dimethylphenoxy)ethanethioamide is sourced from PubChem (CID 19853185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).