N-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline

C15H24N2S — CID 28547630

IUPACN-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline
SMILESCSCCCNc1ccccc1N1CCCCC1
InChIInChI=1S/C15H24N2S/c1-18-13-7-10-16-14-8-3-4-9-15(14)17-11-5-2-6-12-17/h3-4,8-9,16H,2,5-7,10-13H2,1H3
InChIKeyUOBQOGRPMJIHJR-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.84
Rot. Bonds6

About N-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline

N-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline (PubChem CID 28547630) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline
PubChem CID28547630
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline
SMILESCSCCCNc1ccccc1N1CCCCC1
InChIInChI=1S/C15H24N2S/c1-18-13-7-10-16-14-8-3-4-9-15(14)17-11-5-2-6-12-17/h3-4,8-9,16H,2,5-7,10-13H2,1H3
InChIKeyUOBQOGRPMJIHJR-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-piperidin-1-ylaniline;toluene
CID 174677024
N-pent-4-enyl-2-piperidin-1-ylaniline
CID 21261771
1-[2-(4-methylsulfanylbutylamino)phenyl]pyrrolidin-2-one
CID 103087296
2-fluoro-N-(3-methylsulfanylpropyl)aniline
CID 28616589
N-(2-phenoxyethyl)-2-piperidin-1-ylaniline
CID 78820561
N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline
CID 43702070
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline
CID 68835193
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
CID 43229105
N-(4-methylsulfanylbutyl)-2-(1,2,4-triazol-1-yl)aniline
CID 103087546
N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride
CID 174970195
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 43684216
N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline
CID 30052168

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline?
The IUPAC name of N-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline (CID 28547630) is N-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline?
The canonical SMILES for N-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline is CSCCCNc1ccccc1N1CCCCC1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline?
The InChIKey is UOBQOGRPMJIHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-18-13-7-10-16-14-8-3-4-9-15(14)17-11-5-2-6-12-17/h3-4,8-9,16H,2,5-7,10-13H2,1H3.
What are the key properties of N-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline?
N-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline has a molecular weight of 264.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline is sourced from PubChem (CID 28547630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).