N-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline

C12H17N3S2 — CID 118396854

IUPACN-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline
SMILESCN(N=S=S)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C12H17N3S2/c1-14(13-17-16)11-5-7-12(8-6-11)15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3
InChIKeyLNWXSAVTENFOQP-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.76
Rot. Bonds3

About N-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline

N-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline (PubChem CID 118396854) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is N-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline.

Molecular Properties

Compound NameN-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline
PubChem CID118396854
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC NameN-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline
SMILESCN(N=S=S)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C12H17N3S2/c1-14(13-17-16)11-5-7-12(8-6-11)15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3
InChIKeyLNWXSAVTENFOQP-UHFFFAOYSA-N
XLogP2.76
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline
CID 19868016
N-(2-chloroethyl)-N-methyl-4-pyrrolidin-1-ylaniline
CID 82117163
N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 110753175
2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine
CID 82021053
N-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline
CID 110753185
2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol
CID 82114402
methyl-(4-pyrrolidin-1-ylphenyl)phosphane
CID 143428794
N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
CID 110650708
1-(4-nitrosophenyl)piperidine
CID 88954522
1-(4-methoxyphenyl)piperidine
CID 10130315
cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078713

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline?
The IUPAC name of N-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline (CID 118396854) is N-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline.
What is the SMILES notation for N-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline?
The canonical SMILES for N-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline is CN(N=S=S)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline?
The InChIKey is LNWXSAVTENFOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-14(13-17-16)11-5-7-12(8-6-11)15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3.
What are the key properties of N-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline?
N-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline has a molecular weight of 267.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline is sourced from PubChem (CID 118396854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).