N-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide

C16H24N2O3S — CID 146080238

IUPACN-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NC1CN(C2CCOCC2)C1
InChIInChI=1S/C16H24N2O3S/c19-22(20,11-8-14-4-2-1-3-5-14)17-15-12-18(13-15)16-6-9-21-10-7-16/h1-5,15-17H,6-13H2
InChIKeyLSFNHKQWYIRSJW-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.01
Rot. Bonds6

About N-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide

N-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide (PubChem CID 146080238) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide
PubChem CID146080238
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NC1CN(C2CCOCC2)C1
InChIInChI=1S/C16H24N2O3S/c19-22(20,11-8-14-4-2-1-3-5-14)17-15-12-18(13-15)16-6-9-21-10-7-16/h1-5,15-17H,6-13H2
InChIKeyLSFNHKQWYIRSJW-UHFFFAOYSA-N
XLogP1.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide 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

N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 121109573
N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide
CID 122276557
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-phenylethanesulfonamide
CID 80691949
N-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide
CID 110751566
2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide
CID 99875511
1-(oxolan-3-yl)-4-(2-phenylethylsulfonyl)-1,4-diazepane
CID 134161023
N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide
CID 110752104
(3R,6S)-1-(oxan-4-yl)-6-[(2-phenylacetyl)amino]-N-propylazepane-3-carboxamide
CID 171910692
N-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide
CID 110715024
(3R,6S)-N-benzyl-6-(3-hydroxypropanoylamino)-1-(oxan-4-yl)azepane-3-carboxamide
CID 171911075
1-(oxan-4-yl)-4-(2-phenylethyl)-1,4-diazepane-6-carboxamide
CID 127245419
N-(2-phenylethyl)oxan-4-amine;hydrochloride
CID 71299312

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide?
The IUPAC name of N-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide (CID 146080238) is N-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NC1CN(C2CCOCC2)C1.
What is the InChIKey of N-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide?
The InChIKey is LSFNHKQWYIRSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c19-22(20,11-8-14-4-2-1-3-5-14)17-15-12-18(13-15)16-6-9-21-10-7-16/h1-5,15-17H,6-13H2.
What are the key properties of N-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide?
N-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide is sourced from PubChem (CID 146080238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).