4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine

C13H22N2S — CID 105157999

IUPAC4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine
SMILESCCCNC(CCSC)Cc1ccccn1
InChIInChI=1S/C13H22N2S/c1-3-8-14-13(7-10-16-2)11-12-6-4-5-9-15-12/h4-6,9,13-14H,3,7-8,10-11H2,1-2H3
InChIKeyYWWXIOHYSMWBRJ-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.75
Rot. Bonds8

About 4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine

4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine (PubChem CID 105157999) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine
PubChem CID105157999
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine
SMILESCCCNC(CCSC)Cc1ccccn1
InChIInChI=1S/C13H22N2S/c1-3-8-14-13(7-10-16-2)11-12-6-4-5-9-15-12/h4-6,9,13-14H,3,7-8,10-11H2,1-2H3
InChIKeyYWWXIOHYSMWBRJ-UHFFFAOYSA-N
XLogP2.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62600384
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N',N'-dimethyl-N-(1-pyridin-2-ylpentan-2-yl)ethane-1,2-diamine
CID 137425939
4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine
CID 105159278
3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 60820074
1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine
CID 105090087
N-propyl-1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642797
1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine
CID 62600579
N-propyl-1-(1-propylimidazol-2-yl)-3-pyridin-2-ylpropan-2-amine
CID 79752625
1-pyridin-2-ylpentan-2-ylhydrazine
CID 105199777
2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol
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CID 103039837

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine?
The IUPAC name of 4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine (CID 105157999) is 4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine is CCCNC(CCSC)Cc1ccccn1.
What is the InChIKey of 4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine?
The InChIKey is YWWXIOHYSMWBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-8-14-13(7-10-16-2)11-12-6-4-5-9-15-12/h4-6,9,13-14H,3,7-8,10-11H2,1-2H3.
What are the key properties of 4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine?
4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine has a molecular weight of 238.40 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 105157999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).