N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine

C17H21N3S — CID 43683305

IUPACN-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine
SMILESCSc1ccccc1NC1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H21N3S/c1-21-17-5-3-2-4-16(17)19-14-8-12-20(13-9-14)15-6-10-18-11-7-15/h2-7,10-11,14,19H,8-9,12-13H2,1H3
InChIKeyCZOWVLHWHZPWOW-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.88
Rot. Bonds4

About N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine

N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine (PubChem CID 43683305) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine
PubChem CID43683305
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine
SMILESCSc1ccccc1NC1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H21N3S/c1-21-17-5-3-2-4-16(17)19-14-8-12-20(13-9-14)15-6-10-18-11-7-15/h2-7,10-11,14,19H,8-9,12-13H2,1H3
InChIKeyCZOWVLHWHZPWOW-UHFFFAOYSA-N
XLogP3.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5h-Pyrido[3,4-b][1,4]benzothiazine
CID 291128
1-(5-Phenylsulfanyl-3-pyridinyl)-1,4-diazepane
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N-(3-(phenylthio)pyridin-4-yl)methanesulfonamide
CID 11460185
N-ethyl-1-(pyridin-4-yl)piperidin-4-amine
CID 43166642
2-(2-Pyridylsulfanyl)aniline
CID 15211606
N,N-dimethyl-3-(5H-pyrido[3,4-b][1,4]benzothiazin-5-yl)-1-propanamine
CID 423675
5-[(1-Methylpiperidin-3-yl)methyl]pyrido[3,4-b][1,4]benzothiazine
CID 44431647
N-[(4-methylsulfanylphenyl)methyl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 72025200
N,N-dimethyl-2-[[2-(triphenyl-lambda4-sulfanyl)ethylamino]methyl]pyridin-4-amine
CID 171351099
5H-Dipyrido[3,4-b:4',3'-e][1,4]thiazine
CID 327523
2-(Phenylthio)-N-(pyridin-2-ylmethyl)ethan-1-amine
CID 8025031
2-(Pyridin-2-ylsulfanyl)pyridin-4-amine
CID 47002939

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine?
The IUPAC name of N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine (CID 43683305) is N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine?
The canonical SMILES for N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine is CSc1ccccc1NC1CCN(c2ccncc2)CC1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine?
The InChIKey is CZOWVLHWHZPWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-21-17-5-3-2-4-16(17)19-14-8-12-20(13-9-14)15-6-10-18-11-7-15/h2-7,10-11,14,19H,8-9,12-13H2,1H3.
What are the key properties of N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine?
N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine has a molecular weight of 299.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine is sourced from PubChem (CID 43683305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).