N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine

C14H23N3S — CID 43675357

IUPACN-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine
SMILESCSCCCNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H23N3S/c1-18-12-4-9-15-13-6-10-17(11-7-13)14-5-2-3-8-16-14/h2-3,5,8,13,15H,4,6-7,9-12H2,1H3
InChIKeyABOGXWBRABSZPD-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.39
Rot. Bonds6

About N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine

N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 43675357) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine
PubChem CID43675357
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine
SMILESCSCCCNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H23N3S/c1-18-12-4-9-15-13-6-10-17(11-7-13)14-5-2-3-8-16-14/h2-3,5,8,13,15H,4,6-7,9-12H2,1H3
InChIKeyABOGXWBRABSZPD-UHFFFAOYSA-N
XLogP2.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 63983974
N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 81338605
1-(3-methylsulfanylpropyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97240988
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318
N',N'-diethyl-N-(1-pyridin-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 43761755
2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 103784825
N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine
CID 106675135
2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
CID 83111405
N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115706396
N-[(4-ethylphenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119126767
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine
CID 63332224

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine (CID 43675357) is N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine is CSCCCNC1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is ABOGXWBRABSZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-18-12-4-9-15-13-6-10-17(11-7-13)14-5-2-3-8-16-14/h2-3,5,8,13,15H,4,6-7,9-12H2,1H3.
What are the key properties of N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine?
N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 265.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 43675357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).