[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone

C10H11NOS — CID 175855231

IUPAC[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C10H11NOS/c12-10(8-2-1-3-13-8)9-6-4-11-5-7(6)9/h1-3,6-7,9,11H,4-5H2/t6-,7+,9?
InChIKeyXYVLIYNONUISAL-AVSFMBPQSA-N
MW193.27 g/mol
LogP1.40
Rot. Bonds2

About [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone

[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone (PubChem CID 175855231) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone
PubChem CID175855231
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C10H11NOS/c12-10(8-2-1-3-13-8)9-6-4-11-5-7(6)9/h1-3,6-7,9,11H,4-5H2/t6-,7+,9?
InChIKeyXYVLIYNONUISAL-AVSFMBPQSA-N
XLogP1.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-3-yl(thiophen-2-yl)methanone
CID 58080702
pyrrolidin-3-yl(thiophen-2-yl)methanone
CID 68933269
2-(azetidin-3-yl)-1-thiophen-2-ylethanone
CID 116582435
1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone
CID 116573474
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(thiophen-2-yl)methanone
CID 66212768
tert-butyl (1S,5R)-6-(thiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 175855149
[2-(4-bromophenyl)-3-[4-[2-(4-bromophenyl)-3-(thiophene-2-carbonyl)cyclopropyl]phenyl]cyclopropyl]-thiophen-2-ylmethanone
CID 10794720
[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
CID 42076584
[4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 66203885
N-methyl-N-[(3R)-pyrrolidin-3-yl]thiophene-2-carboxamide
CID 71640939
[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-thiophen-2-ylmethanone
CID 6921141
azepan-2-yl(thiophen-2-yl)methanone
CID 116582716

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone (CID 175855231) is [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone?
The InChIKey is XYVLIYNONUISAL-AVSFMBPQSA-N. The full InChI is InChI=1S/C10H11NOS/c12-10(8-2-1-3-13-8)9-6-4-11-5-7(6)9/h1-3,6-7,9,11H,4-5H2/t6-,7+,9?.
What are the key properties of [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone?
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone has a molecular weight of 193.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 175855231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).