N-ethyl-N-(thian-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

C14H26N2S — CID 54981986

IUPACN-ethyl-N-(thian-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(C1CCSCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H26N2S/c1-2-16(13-5-7-17-8-6-13)14-9-11-3-4-12(10-14)15-11/h11-15H,2-10H2,1H3
InChIKeyYPBYRFYZOOHXKG-UHFFFAOYSA-N
MW254.44 g/mol
LogP2.49
Rot. Bonds3

About N-ethyl-N-(thian-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-N-(thian-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 54981986) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-ethyl-N-(thian-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(thian-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID54981986
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-ethyl-N-(thian-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(C1CCSCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H26N2S/c1-2-16(13-5-7-17-8-6-13)14-9-11-3-4-12(10-14)15-11/h11-15H,2-10H2,1H3
InChIKeyYPBYRFYZOOHXKG-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(thian-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-(thian-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 54981986) is N-ethyl-N-(thian-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-(thian-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-(thian-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is CCN(C1CCSCC1)C1CC2CCC(C1)N2.
What is the InChIKey of N-ethyl-N-(thian-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is YPBYRFYZOOHXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-2-16(13-5-7-17-8-6-13)14-9-11-3-4-12(10-14)15-11/h11-15H,2-10H2,1H3.
What are the key properties of N-ethyl-N-(thian-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-(thian-4-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 254.44 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(thian-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 54981986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).