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

C13H21N3S — CID 63983974

IUPACN-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine
SMILESCSCCNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H21N3S/c1-17-11-8-14-12-5-9-16(10-6-12)13-4-2-3-7-15-13/h2-4,7,12,14H,5-6,8-11H2,1H3
InChIKeyUWKAJQMXPSAWFK-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.00
Rot. Bonds5

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

N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 63983974) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine
PubChem CID63983974
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine
SMILESCSCCNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H21N3S/c1-17-11-8-14-12-5-9-16(10-6-12)13-4-2-3-7-15-13/h2-4,7,12,14H,5-6,8-11H2,1H3
InChIKeyUWKAJQMXPSAWFK-UHFFFAOYSA-N
XLogP2.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.00
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-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675357
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
N',N'-diethyl-N-(1-pyridin-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 43761755
N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 81338605
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
1-(3-methylsulfanylpropyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97240988

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine (CID 63983974) is N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine is CSCCNC1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is UWKAJQMXPSAWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-17-11-8-14-12-5-9-16(10-6-12)13-4-2-3-7-15-13/h2-4,7,12,14H,5-6,8-11H2,1H3.
What are the key properties of N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine?
N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 251.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 63983974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).