2-methyl-N-[(1R,2R,4R)-7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide

C15H22N2OS — CID 98240901

IUPAC2-methyl-N-[(1R,2R,4R)-7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide
SMILESCC(C)C(=O)N[C@@H]1C[C@H]2CC[C@H]1N2Cc1ccsc1
InChIInChI=1S/C15H22N2OS/c1-10(2)15(18)16-13-7-12-3-4-14(13)17(12)8-11-5-6-19-9-11/h5-6,9-10,12-14H,3-4,7-8H2,1-2H3,(H,16,18)/t12-,13-,14-/m1/s1
InChIKeyDBIOKPWGNVOQFU-MGPQQGTHSA-N
MW278.42 g/mol
LogP2.63
Rot. Bonds4

About 2-methyl-N-[(1R,2R,4R)-7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide

2-methyl-N-[(1R,2R,4R)-7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide (PubChem CID 98240901) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-methyl-N-[(1R,2R,4R)-7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1R,2R,4R)-7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide
PubChem CID98240901
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-methyl-N-[(1R,2R,4R)-7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide
SMILESCC(C)C(=O)N[C@@H]1C[C@H]2CC[C@H]1N2Cc1ccsc1
InChIInChI=1S/C15H22N2OS/c1-10(2)15(18)16-13-7-12-3-4-14(13)17(12)8-11-5-6-19-9-11/h5-6,9-10,12-14H,3-4,7-8H2,1-2H3,(H,16,18)/t12-,13-,14-/m1/s1
InChIKeyDBIOKPWGNVOQFU-MGPQQGTHSA-N
XLogP2.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R,2R,4R)-7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[(1R,2R,4R)-7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide (CID 98240901) is 2-methyl-N-[(1R,2R,4R)-7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(1R,2R,4R)-7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(1R,2R,4R)-7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide is CC(C)C(=O)N[C@@H]1C[C@H]2CC[C@H]1N2Cc1ccsc1.
What is the InChIKey of 2-methyl-N-[(1R,2R,4R)-7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide?
The InChIKey is DBIOKPWGNVOQFU-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10(2)15(18)16-13-7-12-3-4-14(13)17(12)8-11-5-6-19-9-11/h5-6,9-10,12-14H,3-4,7-8H2,1-2H3,(H,16,18)/t12-,13-,14-/m1/s1.
What are the key properties of 2-methyl-N-[(1R,2R,4R)-7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide?
2-methyl-N-[(1R,2R,4R)-7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide has a molecular weight of 278.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R,2R,4R)-7-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]propanamide is sourced from PubChem (CID 98240901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).