2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide

C10H13ClN2S — CID 66153924

IUPAC2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide
SMILES[H]/N=C(/CSc1ccccc1Cl)N(C)C
InChIInChI=1S/C10H13ClN2S/c1-13(2)10(12)7-14-9-6-4-3-5-8(9)11/h3-6,12H,7H2,1-2H3/b12-10-
InChIKeyIVKDUOOANZMUFG-BENRWUELSA-N
MW228.75 g/mol
LogP2.97
Rot. Bonds3

About 2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide

2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide (PubChem CID 66153924) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide
PubChem CID66153924
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide
SMILES[H]/N=C(/CSc1ccccc1Cl)N(C)C
InChIInChI=1S/C10H13ClN2S/c1-13(2)10(12)7-14-9-6-4-3-5-8(9)11/h3-6,12H,7H2,1-2H3/b12-10-
InChIKeyIVKDUOOANZMUFG-BENRWUELSA-N
XLogP2.97
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide 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

2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanimine
CID 66153926
2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide
CID 63179561
2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652550
N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanyl-N-methylacetamide
CID 112790303
N,N-dimethyl-2-(2-methylphenyl)ethanimidamide
CID 63179558
2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide
CID 66153535
1-(2-chlorophenyl)sulfanyl-4-methylpent-3-en-2-one
CID 79190154
1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one
CID 79566355
N'-amino-2-(2-chlorophenyl)sulfanylethanimidamide
CID 77113318
2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol
CID 103074125
4-(2-chlorophenyl)sulfanyl-3-methylbut-2-enoic acid
CID 76975138
1-(2-chlorophenyl)sulfanyl-4-methylpent-4-en-2-one
CID 79177144

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide (CID 66153924) is 2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide is [H]/N=C(/CSc1ccccc1Cl)N(C)C.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide?
The InChIKey is IVKDUOOANZMUFG-BENRWUELSA-N. The full InChI is InChI=1S/C10H13ClN2S/c1-13(2)10(12)7-14-9-6-4-3-5-8(9)11/h3-6,12H,7H2,1-2H3/b12-10-.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide?
2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide has a molecular weight of 228.75 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide is sourced from PubChem (CID 66153924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).