1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine

C21H27N3O2S — CID 21183788

IUPAC1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1
InChIInChI=1S/C21H27N3O2S/c1-27(25,26)24-14-12-22(13-15-24)20-16-23(17-20)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3
InChIKeyZKHIWSTVWAUZOC-UHFFFAOYSA-N
MW385.53 g/mol
LogP2.04
Rot. Bonds5

About 1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine

1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine (PubChem CID 21183788) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine
PubChem CID21183788
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1
InChIInChI=1S/C21H27N3O2S/c1-27(25,26)24-14-12-22(13-15-24)20-16-23(17-20)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3
InChIKeyZKHIWSTVWAUZOC-UHFFFAOYSA-N
XLogP2.04
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine 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-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane
CID 90779796
1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine
CID 21184137
N-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
CID 141139435
2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol
CID 62992614
1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine
CID 160596088
2-methylsulfonyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 142444574
4-(1-benzhydrylazetidin-3-yl)-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide
CID 159994919
N-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide
CID 21183789
(3R)-1-benzhydryl-3-methylsulfonylpiperidine
CID 125141980
(2R)-N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetamide
CID 31873332
tert-butyl N-[[1-(1-benzhydrylazetidin-3-yl)piperidin-4-yl]methyl]carbamate
CID 91581752
2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide
CID 63574186

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine?
The IUPAC name of 1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine (CID 21183788) is 1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1.
What is the InChIKey of 1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine?
The InChIKey is ZKHIWSTVWAUZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-27(25,26)24-14-12-22(13-15-24)20-16-23(17-20)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3.
What are the key properties of 1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine?
1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine has a molecular weight of 385.53 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 21183788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).