4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline

C15H24N2S — CID 115211012

IUPAC4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline
SMILESCCSc1ccc(NCCC2CCCCN2)cc1
InChIInChI=1S/C15H24N2S/c1-2-18-15-8-6-14(7-9-15)17-12-10-13-5-3-4-11-16-13/h6-9,13,16-17H,2-5,10-12H2,1H3
InChIKeyWVOHMUJQYQVVOJ-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.74
Rot. Bonds6

About 4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline

4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline (PubChem CID 115211012) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline.

Molecular Properties

Compound Name4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline
PubChem CID115211012
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline
SMILESCCSc1ccc(NCCC2CCCCN2)cc1
InChIInChI=1S/C15H24N2S/c1-2-18-15-8-6-14(7-9-15)17-12-10-13-5-3-4-11-16-13/h6-9,13,16-17H,2-5,10-12H2,1H3
InChIKeyWVOHMUJQYQVVOJ-UHFFFAOYSA-N
XLogP3.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208091
1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone
CID 116917154
4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210239
4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
CID 104973347
2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride
CID 72716584
4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline
CID 106633430
N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide
CID 114794395
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline
CID 115041678
4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline
CID 115054169
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364
N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211157
N-methyl-2-piperidin-2-ylethanamine
CID 13073020

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline?
The IUPAC name of 4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline (CID 115211012) is 4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline.
What is the SMILES notation for 4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline?
The canonical SMILES for 4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline is CCSc1ccc(NCCC2CCCCN2)cc1.
What is the InChIKey of 4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline?
The InChIKey is WVOHMUJQYQVVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-2-18-15-8-6-14(7-9-15)17-12-10-13-5-3-4-11-16-13/h6-9,13,16-17H,2-5,10-12H2,1H3.
What are the key properties of 4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline?
4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline has a molecular weight of 264.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline is sourced from PubChem (CID 115211012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).