1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide;hydroiodide

C16H25IN2O3S — CID 146138536

IUPAC1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide;hydroiodide
SMILESI.NS(=O)(=O)C1CCN(C2CC(OCc3ccccc3)C2)CC1
InChIInChI=1S/C16H24N2O3S.HI/c17-22(19,20)16-6-8-18(9-7-16)14-10-15(11-14)21-12-13-4-2-1-3-5-13;/h1-5,14-16H,6-12H2,(H2,17,19,20);1H
InChIKeyZEAHGWNTGFLQAC-UHFFFAOYSA-N
MW452.36 g/mol
LogP2.11
Rot. Bonds5

About 1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide;hydroiodide

1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide;hydroiodide (PubChem CID 146138536) has the molecular formula C16H25IN2O3S and a molecular weight of 452.36 g/mol. Its IUPAC name is 1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide;hydroiodide.

Molecular Properties

Compound Name1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide;hydroiodide
PubChem CID146138536
Molecular FormulaC16H25IN2O3S
Molecular Weight452.36 g/mol
Exact Mass452.06
IUPAC Name1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide;hydroiodide
SMILESI.NS(=O)(=O)C1CCN(C2CC(OCc3ccccc3)C2)CC1
InChIInChI=1S/C16H24N2O3S.HI/c17-22(19,20)16-6-8-18(9-7-16)14-10-15(11-14)21-12-13-4-2-1-3-5-13;/h1-5,14-16H,6-12H2,(H2,17,19,20);1H
InChIKeyZEAHGWNTGFLQAC-UHFFFAOYSA-N
XLogP2.11
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide
CID 146138537
(3aR,6aS)-5-phenylmethoxy-2-pyrrolidin-1-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 155902802
4-phenylmethoxypiperidine-1-sulfonic acid
CID 174878483
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
(3-phenylmethoxycyclobutyl) ethanesulfonate
CID 87670709
benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate
CID 166077458
3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391
benzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 162372780
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
3-phenylmethoxycyclopentan-1-amine
CID 79421215
3-phenylmethoxyazetidine-1-sulfonyl fluoride
CID 134969133

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide;hydroiodide?
The IUPAC name of 1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide;hydroiodide (CID 146138536) is 1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide;hydroiodide.
What is the SMILES notation for 1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide;hydroiodide?
The canonical SMILES for 1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide;hydroiodide is I.NS(=O)(=O)C1CCN(C2CC(OCc3ccccc3)C2)CC1.
What is the InChIKey of 1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide;hydroiodide?
The InChIKey is ZEAHGWNTGFLQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S.HI/c17-22(19,20)16-6-8-18(9-7-16)14-10-15(11-14)21-12-13-4-2-1-3-5-13;/h1-5,14-16H,6-12H2,(H2,17,19,20);1H.
What are the key properties of 1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide;hydroiodide?
1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide;hydroiodide has a molecular weight of 452.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide;hydroiodide is sourced from PubChem (CID 146138536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).