1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol

C17H19NOS — CID 89059165

IUPAC1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol
SMILESOC1(CS)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C17H19NOS/c19-17(13-20)11-18(12-17)16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19-20H,11-13H2
InChIKeyYXSZGDACEPAJDQ-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.75
Rot. Bonds4

About 1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol

1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol (PubChem CID 89059165) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol
PubChem CID89059165
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol
SMILESOC1(CS)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C17H19NOS/c19-17(13-20)11-18(12-17)16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19-20H,11-13H2
InChIKeyYXSZGDACEPAJDQ-UHFFFAOYSA-N
XLogP2.75
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(anilinomethyl)-1-benzhydrylazetidin-3-ol
CID 68555934
N-[(1-benzhydryl-3-hydroxyazetidin-3-yl)methyl]-methylboronamidic acid
CID 20668520
1-[cyclohexa-1,5-dien-3-yn-1-yl(phenyl)methyl]-3-ethylazetidin-3-ol
CID 163386886
2-(1-benzhydryl-3-hydroxyazetidin-3-yl)-3,3-dimethylbutanoic acid
CID 67051529
tert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate
CID 138987642
1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol
CID 11441159
1-benzhydryl-3,3-dimethylazetidine;1-benzhydryl-3-methylazetidin-3-ol;3-methylazetidin-3-ol
CID 158144824
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol
CID 154800249
(1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid
CID 66953063
1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine
CID 122504704
5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane
CID 167092209

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol?
The IUPAC name of 1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol (CID 89059165) is 1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol.
What is the SMILES notation for 1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol?
The canonical SMILES for 1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol is OC1(CS)CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol?
The InChIKey is YXSZGDACEPAJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c19-17(13-20)11-18(12-17)16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19-20H,11-13H2.
What are the key properties of 1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol?
1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol has a molecular weight of 285.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol is sourced from PubChem (CID 89059165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).