8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

C13H24N2S — CID 80613025

IUPAC8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2CC1CCCCS1
InChIInChI=1S/C13H24N2S/c14-10-7-11-4-5-12(8-10)15(11)9-13-3-1-2-6-16-13/h10-13H,1-9,14H2
InChIKeyVOZWXHITUCQKDN-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.23
Rot. Bonds2

About 8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 80613025) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID80613025
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2CC1CCCCS1
InChIInChI=1S/C13H24N2S/c14-10-7-11-4-5-12(8-10)15(11)9-13-3-1-2-6-16-13/h10-13H,1-9,14H2
InChIKeyVOZWXHITUCQKDN-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 80613025) is 8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2CC1CCCCS1.
What is the InChIKey of 8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is VOZWXHITUCQKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c14-10-7-11-4-5-12(8-10)15(11)9-13-3-1-2-6-16-13/h10-13H,1-9,14H2.
What are the key properties of 8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 240.42 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 80613025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).