(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-chlorothiophen-2-yl)methanone

C12H14ClNOS — CID 107361466

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-chlorothiophen-2-yl)methanone
SMILESNC1C2CCC(C2)C1C(=O)c1sccc1Cl
InChIInChI=1S/C12H14ClNOS/c13-8-3-4-16-12(8)11(15)9-6-1-2-7(5-6)10(9)14/h3-4,6-7,9-10H,1-2,5,14H2
InChIKeyGNTJVXPYQFUIBM-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.96
Rot. Bonds2

About (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-chlorothiophen-2-yl)methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-chlorothiophen-2-yl)methanone (PubChem CID 107361466) has the molecular formula C12H14ClNOS and a molecular weight of 255.77 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-chlorothiophen-2-yl)methanone
PubChem CID107361466
Molecular FormulaC12H14ClNOS
Molecular Weight255.77 g/mol
Exact Mass255.05
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-chlorothiophen-2-yl)methanone
SMILESNC1C2CCC(C2)C1C(=O)c1sccc1Cl
InChIInChI=1S/C12H14ClNOS/c13-8-3-4-16-12(8)11(15)9-6-1-2-7(5-6)10(9)14/h3-4,6-7,9-10H,1-2,5,14H2
InChIKeyGNTJVXPYQFUIBM-UHFFFAOYSA-N
XLogP2.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-chlorothiophen-2-yl)methanone (CID 107361466) is (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-chlorothiophen-2-yl)methanone is NC1C2CCC(C2)C1C(=O)c1sccc1Cl.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-chlorothiophen-2-yl)methanone?
The InChIKey is GNTJVXPYQFUIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNOS/c13-8-3-4-16-12(8)11(15)9-6-1-2-7(5-6)10(9)14/h3-4,6-7,9-10H,1-2,5,14H2.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-chlorothiophen-2-yl)methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-chlorothiophen-2-yl)methanone has a molecular weight of 255.77 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 107361466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).