N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide

C14H20N2OS — CID 114026066

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide
SMILESCCN(CCC(N)=S)C(=O)c1c(C)cccc1C
InChIInChI=1S/C14H20N2OS/c1-4-16(9-8-12(15)18)14(17)13-10(2)6-5-7-11(13)3/h5-7H,4,8-9H2,1-3H3,(H2,15,18)
InChIKeyDXIXDIZENAEGIQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.44
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide (PubChem CID 114026066) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide
PubChem CID114026066
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide
SMILESCCN(CCC(N)=S)C(=O)c1c(C)cccc1C
InChIInChI=1S/C14H20N2OS/c1-4-16(9-8-12(15)18)14(17)13-10(2)6-5-7-11(13)3/h5-7H,4,8-9H2,1-3H3,(H2,15,18)
InChIKeyDXIXDIZENAEGIQ-UHFFFAOYSA-N
XLogP2.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-difluoro-3-methylbenzamide
CID 82815244
2-amino-N-ethyl-6-methyl-N-propylbenzamide
CID 43268247
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide
CID 62921386
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
CID 54988366
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
CID 63287161
N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide
CID 54988318
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-5-fluoro-2-hydroxybenzamide
CID 113281569
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-N-ethylfuran-3-carboxamide
CID 106684907
N-(3-amino-3-sulfanylidenepropyl)-2,6-difluoro-N-(2-methoxyethyl)benzamide
CID 63287615
N-(3-amino-3-sulfanylidenepropyl)-2-bromo-N-ethylfuran-3-carboxamide
CID 106852180
3-(2-carbamothioyl-3-methylphenyl)-1,1-diethylurea
CID 107798930
N-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide
CID 65216427

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide (CID 114026066) is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide is CCN(CCC(N)=S)C(=O)c1c(C)cccc1C.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide?
The InChIKey is DXIXDIZENAEGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-4-16(9-8-12(15)18)14(17)13-10(2)6-5-7-11(13)3/h5-7H,4,8-9H2,1-3H3,(H2,15,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide?
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide has a molecular weight of 264.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide is sourced from PubChem (CID 114026066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).