(5-chlorothiophen-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone

C10H10ClNOS2 — CID 122272822

IUPAC(5-chlorothiophen-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CC2CC1CS2
InChIInChI=1S/C10H10ClNOS2/c11-9-2-1-8(15-9)10(13)12-4-7-3-6(12)5-14-7/h1-2,6-7H,3-5H2
InChIKeyMPCHBGATQJFULI-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.73
Rot. Bonds1

About (5-chlorothiophen-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone

(5-chlorothiophen-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone (PubChem CID 122272822) has the molecular formula C10H10ClNOS2 and a molecular weight of 259.78 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
PubChem CID122272822
Molecular FormulaC10H10ClNOS2
Molecular Weight259.78 g/mol
Exact Mass258.99
IUPAC Name(5-chlorothiophen-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CC2CC1CS2
InChIInChI=1S/C10H10ClNOS2/c11-9-2-1-8(15-9)10(13)12-4-7-3-6(12)5-14-7/h1-2,6-7H,3-5H2
InChIKeyMPCHBGATQJFULI-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122272704
(5-chlorofuran-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 130690334
(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671594
[(1R,5S)-6-(5-chlorothiophene-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-cyclobutylmethanone
CID 133125485
[2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 63395374
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
(5-chlorothiophen-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27233889
(5-chlorothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 25237037
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122272631
2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444651
(5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704719
[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone (CID 122272822) is (5-chlorothiophen-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone is O=C(c1ccc(Cl)s1)N1CC2CC1CS2.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The InChIKey is MPCHBGATQJFULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS2/c11-9-2-1-8(15-9)10(13)12-4-7-3-6(12)5-14-7/h1-2,6-7H,3-5H2.
What are the key properties of (5-chlorothiophen-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
(5-chlorothiophen-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone has a molecular weight of 259.78 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone is sourced from PubChem (CID 122272822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).