2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol

C15H18N2O3S2 — CID 141034176

IUPAC2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol
SMILESO=S(=O)(c1cccs1)N1CCC(Nc2ccccc2O)CC1
InChIInChI=1S/C15H18N2O3S2/c18-14-5-2-1-4-13(14)16-12-7-9-17(10-8-12)22(19,20)15-6-3-11-21-15/h1-6,11-12,16,18H,7-10H2
InChIKeyDZNCLHZEZAASIL-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.72
Rot. Bonds4

About 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol

2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol (PubChem CID 141034176) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol.

Molecular Properties

Compound Name2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol
PubChem CID141034176
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol
SMILESO=S(=O)(c1cccs1)N1CCC(Nc2ccccc2O)CC1
InChIInChI=1S/C15H18N2O3S2/c18-14-5-2-1-4-13(14)16-12-7-9-17(10-8-12)22(19,20)15-6-3-11-21-15/h1-6,11-12,16,18H,7-10H2
InChIKeyDZNCLHZEZAASIL-UHFFFAOYSA-N
XLogP2.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108560111
2,2-diphenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108559458
4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol
CID 60924806
1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea
CID 110823258
2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 110823252
3-hydroxy-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108562969
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
4-fluoro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 35400940
N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55920459
cyclobutyl-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 56510993
N-(2-hydroxy-4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9495613

Frequently Asked Questions

What is the IUPAC name of 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol?
The IUPAC name of 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol (CID 141034176) is 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol.
What is the SMILES notation for 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol?
The canonical SMILES for 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol is O=S(=O)(c1cccs1)N1CCC(Nc2ccccc2O)CC1.
What is the InChIKey of 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol?
The InChIKey is DZNCLHZEZAASIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c18-14-5-2-1-4-13(14)16-12-7-9-17(10-8-12)22(19,20)15-6-3-11-21-15/h1-6,11-12,16,18H,7-10H2.
What are the key properties of 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol?
2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol has a molecular weight of 338.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol is sourced from PubChem (CID 141034176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).