N-methyl-N-[2-(N-methylanilino)sulfanylethylsulfanyl]aniline

C16H20N2S2 — CID 130247228

IUPACN-methyl-N-[2-(N-methylanilino)sulfanylethylsulfanyl]aniline
SMILESCN(SCCSN(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2S2/c1-17(15-9-5-3-6-10-15)19-13-14-20-18(2)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeySCZWCDRPYIJNIK-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.56
Rot. Bonds7

About N-methyl-N-[2-(N-methylanilino)sulfanylethylsulfanyl]aniline

N-methyl-N-[2-(N-methylanilino)sulfanylethylsulfanyl]aniline (PubChem CID 130247228) has the molecular formula C16H20N2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-methyl-N-[2-(N-methylanilino)sulfanylethylsulfanyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[2-(N-methylanilino)sulfanylethylsulfanyl]aniline
PubChem CID130247228
Molecular FormulaC16H20N2S2
Molecular Weight304.48 g/mol
Exact Mass304.11
IUPAC NameN-methyl-N-[2-(N-methylanilino)sulfanylethylsulfanyl]aniline
SMILESCN(SCCSN(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2S2/c1-17(15-9-5-3-6-10-15)19-13-14-20-18(2)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeySCZWCDRPYIJNIK-UHFFFAOYSA-N
XLogP4.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(N-methylanilino)sulfanylethylsulfanyl]aniline?
The IUPAC name of N-methyl-N-[2-(N-methylanilino)sulfanylethylsulfanyl]aniline (CID 130247228) is N-methyl-N-[2-(N-methylanilino)sulfanylethylsulfanyl]aniline.
What is the SMILES notation for N-methyl-N-[2-(N-methylanilino)sulfanylethylsulfanyl]aniline?
The canonical SMILES for N-methyl-N-[2-(N-methylanilino)sulfanylethylsulfanyl]aniline is CN(SCCSN(C)c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-(N-methylanilino)sulfanylethylsulfanyl]aniline?
The InChIKey is SCZWCDRPYIJNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S2/c1-17(15-9-5-3-6-10-15)19-13-14-20-18(2)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of N-methyl-N-[2-(N-methylanilino)sulfanylethylsulfanyl]aniline?
N-methyl-N-[2-(N-methylanilino)sulfanylethylsulfanyl]aniline has a molecular weight of 304.48 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(N-methylanilino)sulfanylethylsulfanyl]aniline is sourced from PubChem (CID 130247228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).