3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole

C11H17N3S2 — CID 10736306

IUPAC3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole
SMILESCCSc1nsnc1[C@H]1CN2CCC[C@H]1C2
InChIInChI=1S/C11H17N3S2/c1-2-15-11-10(12-16-13-11)9-7-14-5-3-4-8(9)6-14/h8-9H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyMHCPBZXRJZKIQK-IUCAKERBSA-N
MW255.41 g/mol
LogP2.46
Rot. Bonds3

About 3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole

3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole (PubChem CID 10736306) has the molecular formula C11H17N3S2 and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole
PubChem CID10736306
Molecular FormulaC11H17N3S2
Molecular Weight255.41 g/mol
Exact Mass255.09
IUPAC Name3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole
SMILESCCSc1nsnc1[C@H]1CN2CCC[C@H]1C2
InChIInChI=1S/C11H17N3S2/c1-2-15-11-10(12-16-13-11)9-7-14-5-3-4-8(9)6-14/h8-9H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyMHCPBZXRJZKIQK-IUCAKERBSA-N
XLogP2.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole with MolForge

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Related Compounds

3-[(5S,6S)-1-azabicyclo[3.2.1]octan-6-yl]-4-pentylsulfanyl-1,2,5-thiadiazole
CID 100925167
bis[2-[[4-(1-azabicyclo[3.2.1]octan-6-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]ethyl] oxalate
CID 57206230
3-[(5S,6S)-1-azabicyclo[3.2.1]octan-6-yl]-4-butylsulfanyl-1,2,5-thiadiazole;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 131719928
4-[[4-[(5S,6S)-1-azabicyclo[3.2.1]octan-6-yl]-1,2,5-thiadiazol-3-yl]sulfanylmethyl]benzonitrile
CID 10291116
3-[(5S)-1-azabicyclo[3.2.1]octan-6-yl]-4-butyl-1,2,5-thiadiazole
CID 10444878
4-[[4-(1-azabicyclo[3.2.1]octan-6-yl)-1,2,5-thiadiazol-3-yl]sulfanylmethyl]-N-sulfanylbenzamide
CID 57056966
3-(1-azabicyclo[2.2.1]heptan-3-yl)-4-[3-(3-chloro-5-fluorophenyl)prop-2-ynylsulfanyl]-1,2,5-thiadiazole
CID 19365789
3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-[(3R)-1-(4-chlorophenyl)-4-methylpent-1-yn-3-yl]oxy-1,2,5-thiadiazole
CID 139898623
3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[3-(3,5-dichlorophenyl)prop-2-ynylsulfanyl]-1,2,5-thiadiazole
CID 19365837
2-(4-propylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octan-6-ol
CID 19600305
3-(1-azabicyclo[2.2.2]octan-3-yl)-4-hexan-2-yloxy-1,2,5-thiadiazole
CID 19784326
5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole
CID 21476654

Frequently Asked Questions

What is the IUPAC name of 3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole?
The IUPAC name of 3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole (CID 10736306) is 3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole?
The canonical SMILES for 3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole is CCSc1nsnc1[C@H]1CN2CCC[C@H]1C2.
What is the InChIKey of 3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole?
The InChIKey is MHCPBZXRJZKIQK-IUCAKERBSA-N. The full InChI is InChI=1S/C11H17N3S2/c1-2-15-11-10(12-16-13-11)9-7-14-5-3-4-8(9)6-14/h8-9H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of 3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole?
3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole has a molecular weight of 255.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole is sourced from PubChem (CID 10736306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).