N-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline

C13H20N2S — CID 155107747

IUPACN-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline
SMILESCSN(C)c1cccc(C2CCNCC2)c1
InChIInChI=1S/C13H20N2S/c1-15(16-2)13-5-3-4-12(10-13)11-6-8-14-9-7-11/h3-5,10-11,14H,6-9H2,1-2H3
InChIKeyQXTBSDIUPFCSQE-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.87
Rot. Bonds3

About N-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline

N-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline (PubChem CID 155107747) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline.

Molecular Properties

Compound NameN-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline
PubChem CID155107747
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline
SMILESCSN(C)c1cccc(C2CCNCC2)c1
InChIInChI=1S/C13H20N2S/c1-15(16-2)13-5-3-4-12(10-13)11-6-8-14-9-7-11/h3-5,10-11,14H,6-9H2,1-2H3
InChIKeyQXTBSDIUPFCSQE-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
N-methyl-N-(3-piperidin-4-ylphenyl)methanesulfonamide
CID 117424883
4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431735
4-(3-phenylphenyl)piperidine
CID 54258001
4-(3-bromophenyl)piperidine;hydrochloride
CID 46735221
N-cyclopropyl-N-methyl-3-piperidin-4-ylbenzamide
CID 70265389
4-[3-(4-ethylphenyl)phenyl]piperidine
CID 129173744
methanamine;4-phenylpiperidine
CID 143444696
N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride
CID 19390920
4-(3-nitrosophenyl)piperidine
CID 142849133
4-phenylpiperidine;sulfane;hydrochloride
CID 174499697
2-(3-piperidin-4-ylphenyl)pyrimidine
CID 91370651

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline?
The IUPAC name of N-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline (CID 155107747) is N-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline.
What is the SMILES notation for N-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline?
The canonical SMILES for N-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline is CSN(C)c1cccc(C2CCNCC2)c1.
What is the InChIKey of N-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline?
The InChIKey is QXTBSDIUPFCSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-15(16-2)13-5-3-4-12(10-13)11-6-8-14-9-7-11/h3-5,10-11,14H,6-9H2,1-2H3.
What are the key properties of N-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline?
N-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline has a molecular weight of 236.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline is sourced from PubChem (CID 155107747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).