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

C15H28N2S — CID 62873306

IUPACN-propyl-N-(thian-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(C1CCCSC1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H28N2S/c1-2-7-17(14-4-3-8-18-11-14)15-9-12-5-6-13(10-15)16-12/h12-16H,2-11H2,1H3
InChIKeyKTBOPLURAVIUEV-UHFFFAOYSA-N
MW268.47 g/mol
LogP2.88
Rot. Bonds4

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

N-propyl-N-(thian-3-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62873306) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-propyl-N-(thian-3-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-propyl-N-(thian-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62873306
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-propyl-N-(thian-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(C1CCCSC1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H28N2S/c1-2-7-17(14-4-3-8-18-11-14)15-9-12-5-6-13(10-15)16-12/h12-16H,2-11H2,1H3
InChIKeyKTBOPLURAVIUEV-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(thian-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-propyl-N-(thian-3-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62873306) is N-propyl-N-(thian-3-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-propyl-N-(thian-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-propyl-N-(thian-3-yl)-8-azabicyclo[3.2.1]octan-3-amine is CCCN(C1CCCSC1)C1CC2CCC(C1)N2.
What is the InChIKey of N-propyl-N-(thian-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is KTBOPLURAVIUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-2-7-17(14-4-3-8-18-11-14)15-9-12-5-6-13(10-15)16-12/h12-16H,2-11H2,1H3.
What are the key properties of N-propyl-N-(thian-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-propyl-N-(thian-3-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 268.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(thian-3-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62873306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).