7-propan-2-yl-3-thia-7-azabicyclo[3.3.1]nonane

C10H19NS — CID 15035848

IUPAC7-propan-2-yl-3-thia-7-azabicyclo[3.3.1]nonane
SMILESCC(C)N1CC2CSCC(C2)C1
InChIInChI=1S/C10H19NS/c1-8(2)11-4-9-3-10(5-11)7-12-6-9/h8-10H,3-7H2,1-2H3
InChIKeyYXJFOGRYWWBOAW-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.08
Rot. Bonds1

About 7-propan-2-yl-3-thia-7-azabicyclo[3.3.1]nonane

7-propan-2-yl-3-thia-7-azabicyclo[3.3.1]nonane (PubChem CID 15035848) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 7-propan-2-yl-3-thia-7-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name7-propan-2-yl-3-thia-7-azabicyclo[3.3.1]nonane
PubChem CID15035848
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name7-propan-2-yl-3-thia-7-azabicyclo[3.3.1]nonane
SMILESCC(C)N1CC2CSCC(C2)C1
InChIInChI=1S/C10H19NS/c1-8(2)11-4-9-3-10(5-11)7-12-6-9/h8-10H,3-7H2,1-2H3
InChIKeyYXJFOGRYWWBOAW-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-3-thia-7-azabicyclo[3.3.1]nonane?
The IUPAC name of 7-propan-2-yl-3-thia-7-azabicyclo[3.3.1]nonane (CID 15035848) is 7-propan-2-yl-3-thia-7-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 7-propan-2-yl-3-thia-7-azabicyclo[3.3.1]nonane?
The canonical SMILES for 7-propan-2-yl-3-thia-7-azabicyclo[3.3.1]nonane is CC(C)N1CC2CSCC(C2)C1.
What is the InChIKey of 7-propan-2-yl-3-thia-7-azabicyclo[3.3.1]nonane?
The InChIKey is YXJFOGRYWWBOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-8(2)11-4-9-3-10(5-11)7-12-6-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 7-propan-2-yl-3-thia-7-azabicyclo[3.3.1]nonane?
7-propan-2-yl-3-thia-7-azabicyclo[3.3.1]nonane has a molecular weight of 185.34 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-3-thia-7-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 15035848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).