1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine

C25H29N3O2S — CID 173116229

IUPAC1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(C2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C25H29N3O2S/c29-31(30,25-12-6-10-22-9-4-5-11-24(22)25)28-17-15-27(16-18-28)23-13-14-26(20-23)19-21-7-2-1-3-8-21/h1-12,23H,13-20H2
InChIKeyHDUSCGQWJORRNM-UHFFFAOYSA-N
MW435.59 g/mol
LogP3.42
Rot. Bonds5

About 1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine

1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine (PubChem CID 173116229) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine
PubChem CID173116229
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC Name1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(C2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C25H29N3O2S/c29-31(30,25-12-6-10-22-9-4-5-11-24(22)25)28-17-15-27(16-18-28)23-13-14-26(20-23)19-21-7-2-1-3-8-21/h1-12,23H,13-20H2
InChIKeyHDUSCGQWJORRNM-UHFFFAOYSA-N
XLogP3.42
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-4-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 11712336
4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
CID 118314265
N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide
CID 3791981
3-[4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]sulfonylthiolane 1,1-dioxide
CID 75440316
1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine
CID 655238
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
CID 90589478
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
(4R)-1-benzyl-4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrrolidin-3-ol
CID 91176657
1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride
CID 2729556
3-[[4-[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]piperidin-1-yl]methyl]benzonitrile;hydrochloride
CID 24736439
3-(2-chloroethyl)-1-naphthalen-1-ylsulfonylpyrrolidine
CID 114801891

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine (CID 173116229) is 1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine is O=S(=O)(c1cccc2ccccc12)N1CCN(C2CCN(Cc3ccccc3)C2)CC1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine?
The InChIKey is HDUSCGQWJORRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c29-31(30,25-12-6-10-22-9-4-5-11-24(22)25)28-17-15-27(16-18-28)23-13-14-26(20-23)19-21-7-2-1-3-8-21/h1-12,23H,13-20H2.
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine?
1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine has a molecular weight of 435.59 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine is sourced from PubChem (CID 173116229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).