1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine

C15H26N2S — CID 79748150

IUPAC1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine
SMILESCCc1ccc(CC(CSC(C)CC)NC)nc1
InChIInChI=1S/C15H26N2S/c1-5-12(3)18-11-15(16-4)9-14-8-7-13(6-2)10-17-14/h7-8,10,12,15-16H,5-6,9,11H2,1-4H3
InChIKeyIINWFIVLZSOQFR-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.31
Rot. Bonds8

About 1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine

1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine (PubChem CID 79748150) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine
PubChem CID79748150
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine
SMILESCCc1ccc(CC(CSC(C)CC)NC)nc1
InChIInChI=1S/C15H26N2S/c1-5-12(3)18-11-15(16-4)9-14-8-7-13(6-2)10-17-14/h7-8,10,12,15-16H,5-6,9,11H2,1-4H3
InChIKeyIINWFIVLZSOQFR-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 79006788
1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine
CID 105014407
1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine
CID 79732696
1-(5-ethyl-2-pyridinyl)-3-methoxy-N-methylpentan-2-amine
CID 116715456
1-(5-ethyl-2-pyridinyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105168957
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-methylpentan-2-amine
CID 79748669
3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxy-N-methylpentan-2-amine
CID 116760887
1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79747783
1-(5-ethyl-2-pyridinyl)-3-(3-methoxyphenyl)-N-methylpropan-2-amine
CID 79732394
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
1-(5-ethyl-2-pyridinyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987022
N-methyl-1-(5-methyl-2-pyridinyl)butan-2-amine
CID 63201914

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine?
The IUPAC name of 1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine (CID 79748150) is 1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine is CCc1ccc(CC(CSC(C)CC)NC)nc1.
What is the InChIKey of 1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine?
The InChIKey is IINWFIVLZSOQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-5-12(3)18-11-15(16-4)9-14-8-7-13(6-2)10-17-14/h7-8,10,12,15-16H,5-6,9,11H2,1-4H3.
What are the key properties of 1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine?
1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine has a molecular weight of 266.45 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine is sourced from PubChem (CID 79748150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).