N'-[bis(methylsulfanyl)-phenylmethyl]-N,N-dimethylethanimidamide

C13H20N2S2 — CID 10880109

IUPACN'-[bis(methylsulfanyl)-phenylmethyl]-N,N-dimethylethanimidamide
SMILESCSC(/N=C(\C)N(C)C)(SC)c1ccccc1
InChIInChI=1S/C13H20N2S2/c1-11(15(2)3)14-13(16-4,17-5)12-9-7-6-8-10-12/h6-10H,1-5H3/b14-11+
InChIKeyYGRRXTMMGBLDMI-SDNWHVSQSA-N
MW268.45 g/mol
LogP3.50
Rot. Bonds4

About N'-[bis(methylsulfanyl)-phenylmethyl]-N,N-dimethylethanimidamide

N'-[bis(methylsulfanyl)-phenylmethyl]-N,N-dimethylethanimidamide (PubChem CID 10880109) has the molecular formula C13H20N2S2 and a molecular weight of 268.45 g/mol. Its IUPAC name is N'-[bis(methylsulfanyl)-phenylmethyl]-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-[bis(methylsulfanyl)-phenylmethyl]-N,N-dimethylethanimidamide
PubChem CID10880109
Molecular FormulaC13H20N2S2
Molecular Weight268.45 g/mol
Exact Mass268.11
IUPAC NameN'-[bis(methylsulfanyl)-phenylmethyl]-N,N-dimethylethanimidamide
SMILESCSC(/N=C(\C)N(C)C)(SC)c1ccccc1
InChIInChI=1S/C13H20N2S2/c1-11(15(2)3)14-13(16-4,17-5)12-9-7-6-8-10-12/h6-10H,1-5H3/b14-11+
InChIKeyYGRRXTMMGBLDMI-SDNWHVSQSA-N
XLogP3.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[bis(methylsulfanyl)-phenylmethyl]-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

N-(dimethylaminomethylidene)benzenecarbothioamide
CID 2774411
N'-Benzyl-N,N-dimethyl-acetamidine
CID 525276
N-[1-(dimethylamino)ethylidene]benzenecarbothioamide
CID 10632118
N-[(1E)-1-(Dimethylamino)ethylidene]benzenecarboselenoamide
CID 10857982
2-Benzylimino-3,4,4-trimethyl-5-methylene-thiazolidine
CID 129790045
N,N-Dimethyl-N'-benzyl-propionamidine
CID 525836
3,5-Dimethyl-2-benzylimino-1,3-thiazolidine
CID 562154
5-Methyl-2-(N-methylbenzylamino)-2-thiazoline
CID 563331
5-Methyl-2-(N-ethylbenzylamino)-2-thiazoline
CID 563516
2-(Dimethylamino)-4-phenyl-1,3-thiazine-6-thione
CID 14000860
benzyl (NE)-N-[1-(dimethylamino)ethylidene]carbamodithioate
CID 15099009
N-[1-(dimethylamino)ethylidene]-2-methylbenzenecarbothioamide
CID 20745750

Frequently Asked Questions

What is the IUPAC name of N'-[bis(methylsulfanyl)-phenylmethyl]-N,N-dimethylethanimidamide?
The IUPAC name of N'-[bis(methylsulfanyl)-phenylmethyl]-N,N-dimethylethanimidamide (CID 10880109) is N'-[bis(methylsulfanyl)-phenylmethyl]-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-[bis(methylsulfanyl)-phenylmethyl]-N,N-dimethylethanimidamide?
The canonical SMILES for N'-[bis(methylsulfanyl)-phenylmethyl]-N,N-dimethylethanimidamide is CSC(/N=C(\C)N(C)C)(SC)c1ccccc1.
What is the InChIKey of N'-[bis(methylsulfanyl)-phenylmethyl]-N,N-dimethylethanimidamide?
The InChIKey is YGRRXTMMGBLDMI-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H20N2S2/c1-11(15(2)3)14-13(16-4,17-5)12-9-7-6-8-10-12/h6-10H,1-5H3/b14-11+.
What are the key properties of N'-[bis(methylsulfanyl)-phenylmethyl]-N,N-dimethylethanimidamide?
N'-[bis(methylsulfanyl)-phenylmethyl]-N,N-dimethylethanimidamide has a molecular weight of 268.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[bis(methylsulfanyl)-phenylmethyl]-N,N-dimethylethanimidamide is sourced from PubChem (CID 10880109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).