3-thia-10-azabicyclo[6.2.0]decane

C8H15NS — CID 118210468

IUPAC3-thia-10-azabicyclo[6.2.0]decane
SMILESC1CCC2CNC2CSC1
InChIInChI=1S/C8H15NS/c1-2-4-10-6-8-7(3-1)5-9-8/h7-9H,1-6H2
InChIKeyQDRPEQGSBWKMGU-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.49
Rot. Bonds

About 3-thia-10-azabicyclo[6.2.0]decane

3-thia-10-azabicyclo[6.2.0]decane (PubChem CID 118210468) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 3-thia-10-azabicyclo[6.2.0]decane.

Molecular Properties

Compound Name3-thia-10-azabicyclo[6.2.0]decane
PubChem CID118210468
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name3-thia-10-azabicyclo[6.2.0]decane
SMILESC1CCC2CNC2CSC1
InChIInChI=1S/C8H15NS/c1-2-4-10-6-8-7(3-1)5-9-8/h7-9H,1-6H2
InChIKeyQDRPEQGSBWKMGU-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 105430849
3-thia-6,9-diazabicyclo[6.2.0]decane
CID 118210384
2-cyclohexylaziridine
CID 14342017
(3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole
CID 96733476
methane;1,4-thiazepan-6-ol;thiepan-3-ol
CID 161052646
3,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[c]thiepine
CID 118209764
3-cyclopropylthiane
CID 57306935
4-(thian-3-yl)pyrrolidine-2-carboxylic acid
CID 117269957
2-(thiolan-3-yl)piperidine
CID 82653358
hexane;3-thia-6-azabicyclo[3.2.0]heptane
CID 170570428
thiepan-3-amine
CID 14594138
4-(thian-3-yl)piperidine
CID 82602229

Frequently Asked Questions

What is the IUPAC name of 3-thia-10-azabicyclo[6.2.0]decane?
The IUPAC name of 3-thia-10-azabicyclo[6.2.0]decane (CID 118210468) is 3-thia-10-azabicyclo[6.2.0]decane.
What is the SMILES notation for 3-thia-10-azabicyclo[6.2.0]decane?
The canonical SMILES for 3-thia-10-azabicyclo[6.2.0]decane is C1CCC2CNC2CSC1.
What is the InChIKey of 3-thia-10-azabicyclo[6.2.0]decane?
The InChIKey is QDRPEQGSBWKMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-4-10-6-8-7(3-1)5-9-8/h7-9H,1-6H2.
What are the key properties of 3-thia-10-azabicyclo[6.2.0]decane?
3-thia-10-azabicyclo[6.2.0]decane has a molecular weight of 157.28 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thia-10-azabicyclo[6.2.0]decane is sourced from PubChem (CID 118210468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).