2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone

C10H10ClNOS — CID 130986231

IUPAC2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)C1C2CNC1C2
InChIInChI=1S/C10H10ClNOS/c11-8-2-1-7(14-8)10(13)9-5-3-6(9)12-4-5/h1-2,5-6,9,12H,3-4H2
InChIKeyBFBVIWRWKZIVIA-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.19
Rot. Bonds2

About 2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone

2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone (PubChem CID 130986231) has the molecular formula C10H10ClNOS and a molecular weight of 227.72 g/mol. Its IUPAC name is 2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone
PubChem CID130986231
Molecular FormulaC10H10ClNOS
Molecular Weight227.72 g/mol
Exact Mass227.02
IUPAC Name2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)C1C2CNC1C2
InChIInChI=1S/C10H10ClNOS/c11-8-2-1-7(14-8)10(13)9-5-3-6(9)12-4-5/h1-2,5-6,9,12H,3-4H2
InChIKeyBFBVIWRWKZIVIA-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid
CID 141098610
azepan-2-yl-(5-chlorothiophen-2-yl)methanone
CID 116582505
methyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate
CID 10060402
(5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549697
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 69123830
5-chlorothiophene-2-carbonyl fluoride
CID 119084238
(5-chlorothiophen-2-yl)-(oxan-2-yl)methanone
CID 62213512
(5-chlorothiophen-2-yl)-[(2R,3S)-3-(trichloromethyl)oxiran-2-yl]methanone
CID 840272
5-chloro-N-hydroxythiophene-2-carboximidoyl chloride
CID 130174133
N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide
CID 141172259
(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671594
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of 2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone (CID 130986231) is 2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for 2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for 2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone is O=C(c1ccc(Cl)s1)C1C2CNC1C2.
What is the InChIKey of 2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone?
The InChIKey is BFBVIWRWKZIVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS/c11-8-2-1-7(14-8)10(13)9-5-3-6(9)12-4-5/h1-2,5-6,9,12H,3-4H2.
What are the key properties of 2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone?
2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone has a molecular weight of 227.72 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 130986231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).