N-methyl-N-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine

C12H22N2S — CID 61231043

IUPACN-methyl-N-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(C1CCSC1)C1CC2CCC(C1)N2
InChIInChI=1S/C12H22N2S/c1-14(11-4-5-15-8-11)12-6-9-2-3-10(7-12)13-9/h9-13H,2-8H2,1H3
InChIKeyGQMQSCVZGWCEAZ-UHFFFAOYSA-N
MW226.39 g/mol
LogP1.71
Rot. Bonds2

About N-methyl-N-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-N-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61231043) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-methyl-N-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61231043
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-methyl-N-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(C1CCSC1)C1CC2CCC(C1)N2
InChIInChI=1S/C12H22N2S/c1-14(11-4-5-15-8-11)12-6-9-2-3-10(7-12)13-9/h9-13H,2-8H2,1H3
InChIKeyGQMQSCVZGWCEAZ-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61231043) is N-methyl-N-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine is CN(C1CCSC1)C1CC2CCC(C1)N2.
What is the InChIKey of N-methyl-N-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GQMQSCVZGWCEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-14(11-4-5-15-8-11)12-6-9-2-3-10(7-12)13-9/h9-13H,2-8H2,1H3.
What are the key properties of N-methyl-N-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 226.39 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61231043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).