4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol

C12H16ClNOS — CID 105365921

IUPAC4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(Cc2ccc(Cl)s2)CCN2CCC1C2
InChIInChI=1S/C12H16ClNOS/c13-11-2-1-10(16-11)7-12(15)4-6-14-5-3-9(12)8-14/h1-2,9,15H,3-8H2
InChIKeyXHCJJUCYNZNBTP-UHFFFAOYSA-N
MW257.79 g/mol
LogP2.40
Rot. Bonds2

About 4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol

4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365921) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365921
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(Cc2ccc(Cl)s2)CCN2CCC1C2
InChIInChI=1S/C12H16ClNOS/c13-11-2-1-10(16-11)7-12(15)4-6-14-5-3-9(12)8-14/h1-2,9,15H,3-8H2
InChIKeyXHCJJUCYNZNBTP-UHFFFAOYSA-N
XLogP2.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chloro-2-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 102857072
1-[(5-chlorothiophen-2-yl)methyl]cycloheptan-1-ol
CID 65147193
3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol
CID 65146833
1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65154137
1-[(5-chlorothiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81315214
4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365802
2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 113302823
1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 65147671
[1-[(5-chlorothiophen-2-yl)methyl]cyclopropyl]methanol
CID 66025210
3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol
CID 65146101
(4aR,8aR)-N-[(5-chlorothiophen-2-yl)methyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 124611075
4-[(5-chlorothiophen-2-yl)methyl]-1-ethylazepan-4-ol
CID 65153829

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol (CID 105365921) is 4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol is OC1(Cc2ccc(Cl)s2)CCN2CCC1C2.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is XHCJJUCYNZNBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c13-11-2-1-10(16-11)7-12(15)4-6-14-5-3-9(12)8-14/h1-2,9,15H,3-8H2.
What are the key properties of 4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 257.79 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).