3-[(1R,5S)-8-[2-[cyclohexylmethyl(methylsulfonyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

C24H37N3O3S — CID 155537442

IUPAC3-[(1R,5S)-8-[2-[cyclohexylmethyl(methylsulfonyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCS(=O)(=O)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(C(N)=O)c1)C2)CC1CCCCC1
InChIInChI=1S/C24H37N3O3S/c1-31(29,30)26(17-18-6-3-2-4-7-18)12-13-27-22-10-11-23(27)16-21(15-22)19-8-5-9-20(14-19)24(25)28/h5,8-9,14,18,21-23H,2-4,6-7,10-13,15-17H2,1H3,(H2,25,28)/t21?,22-,23+
InChIKeyMZNOPBZVMXIFKO-NOTZXAQLSA-N
MW447.65 g/mol
LogP3.34
Rot. Bonds8

About 3-[(1R,5S)-8-[2-[cyclohexylmethyl(methylsulfonyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

3-[(1R,5S)-8-[2-[cyclohexylmethyl(methylsulfonyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 155537442) has the molecular formula C24H37N3O3S and a molecular weight of 447.65 g/mol. Its IUPAC name is 3-[(1R,5S)-8-[2-[cyclohexylmethyl(methylsulfonyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

Compound Name3-[(1R,5S)-8-[2-[cyclohexylmethyl(methylsulfonyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID155537442
Molecular FormulaC24H37N3O3S
Molecular Weight447.65 g/mol
Exact Mass447.26
IUPAC Name3-[(1R,5S)-8-[2-[cyclohexylmethyl(methylsulfonyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCS(=O)(=O)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(C(N)=O)c1)C2)CC1CCCCC1
InChIInChI=1S/C24H37N3O3S/c1-31(29,30)26(17-18-6-3-2-4-7-18)12-13-27-22-10-11-23(27)16-21(15-22)19-8-5-9-20(14-19)24(25)28/h5,8-9,14,18,21-23H,2-4,6-7,10-13,15-17H2,1H3,(H2,25,28)/t21?,22-,23+
InChIKeyMZNOPBZVMXIFKO-NOTZXAQLSA-N
XLogP3.34
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.65
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1R,5S)-8-[2-[cyclohexylmethyl(methylsulfonyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5S)-8-[2-[cyclohexylmethyl(methylsulfonyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The IUPAC name of 3-[(1R,5S)-8-[2-[cyclohexylmethyl(methylsulfonyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (CID 155537442) is 3-[(1R,5S)-8-[2-[cyclohexylmethyl(methylsulfonyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.
What is the SMILES notation for 3-[(1R,5S)-8-[2-[cyclohexylmethyl(methylsulfonyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The canonical SMILES for 3-[(1R,5S)-8-[2-[cyclohexylmethyl(methylsulfonyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is CS(=O)(=O)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(C(N)=O)c1)C2)CC1CCCCC1.
What is the InChIKey of 3-[(1R,5S)-8-[2-[cyclohexylmethyl(methylsulfonyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The InChIKey is MZNOPBZVMXIFKO-NOTZXAQLSA-N. The full InChI is InChI=1S/C24H37N3O3S/c1-31(29,30)26(17-18-6-3-2-4-7-18)12-13-27-22-10-11-23(27)16-21(15-22)19-8-5-9-20(14-19)24(25)28/h5,8-9,14,18,21-23H,2-4,6-7,10-13,15-17H2,1H3,(H2,25,28)/t21?,22-,23+.
What are the key properties of 3-[(1R,5S)-8-[2-[cyclohexylmethyl(methylsulfonyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
3-[(1R,5S)-8-[2-[cyclohexylmethyl(methylsulfonyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide has a molecular weight of 447.65 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5S)-8-[2-[cyclohexylmethyl(methylsulfonyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 155537442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).