1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine

C21H26N2O2S — CID 6551053

IUPAC1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN([C@@H]2C[C@@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C21H26N2O2S/c24-26(25,20-8-7-17-3-1-2-4-18(17)15-20)23-11-9-22(10-12-23)21-14-16-5-6-19(21)13-16/h1-4,7-8,15-16,19,21H,5-6,9-14H2/t16-,19+,21-/m1/s1
InChIKeyQPKYIYQFMYDLSP-LKUPVBHCSA-N
MW370.52 g/mol
LogP3.33
Rot. Bonds3

About 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine

1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine (PubChem CID 6551053) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine
PubChem CID6551053
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN([C@@H]2C[C@@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C21H26N2O2S/c24-26(25,20-8-7-17-3-1-2-4-18(17)15-20)23-11-9-22(10-12-23)21-14-16-5-6-19(21)13-16/h1-4,7-8,15-16,19,21H,5-6,9-14H2/t16-,19+,21-/m1/s1
InChIKeyQPKYIYQFMYDLSP-LKUPVBHCSA-N
XLogP3.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 11878975
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 6942192
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 7108898
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 7325644
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide
CID 7333463
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-nitrophenyl)sulfonylpiperazine
CID 2902607
N-[4-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 11903190
1-(2-bicyclo[2.2.1]heptanyl)-4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane
CID 25191101
1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 6359787

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine (CID 6551053) is 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine is O=S(=O)(c1ccc2ccccc2c1)N1CCN([C@@H]2C[C@@H]3CC[C@H]2C3)CC1.
What is the InChIKey of 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine?
The InChIKey is QPKYIYQFMYDLSP-LKUPVBHCSA-N. The full InChI is InChI=1S/C21H26N2O2S/c24-26(25,20-8-7-17-3-1-2-4-18(17)15-20)23-11-9-22(10-12-23)21-14-16-5-6-19(21)13-16/h1-4,7-8,15-16,19,21H,5-6,9-14H2/t16-,19+,21-/m1/s1.
What are the key properties of 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine?
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine has a molecular weight of 370.52 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine is sourced from PubChem (CID 6551053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).