4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol

C15H17NO3S2 — CID 60924806

IUPAC4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol
SMILESO=S(=O)(c1cccs1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H17NO3S2/c17-14-5-3-12(4-6-14)13-7-9-16(10-8-13)21(18,19)15-2-1-11-20-15/h1-6,11,13,17H,7-10H2
InChIKeyWXXVONDSTGOUHN-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.02
Rot. Bonds3

About 4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol

4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol (PubChem CID 60924806) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol.

Molecular Properties

Compound Name4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol
PubChem CID60924806
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol
SMILESO=S(=O)(c1cccs1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H17NO3S2/c17-14-5-3-12(4-6-14)13-7-9-16(10-8-13)21(18,19)15-2-1-11-20-15/h1-6,11,13,17H,7-10H2
InChIKeyWXXVONDSTGOUHN-UHFFFAOYSA-N
XLogP3.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-pyridin-4-ylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 46362695
2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole
CID 91601557
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol
CID 141034176
1-thiophen-2-ylsulfonylpiperidine
CID 765823
1-cyclopropyl-4-thiophen-2-ylsulfonylpiperazine
CID 47454442
4-(1-ethylsulfonylpiperidin-4-yl)phenol
CID 54861048
piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4605989
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
cyclobutyl-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 56510993
3-hydroxy-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108562969

Frequently Asked Questions

What is the IUPAC name of 4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol?
The IUPAC name of 4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol (CID 60924806) is 4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol.
What is the SMILES notation for 4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol?
The canonical SMILES for 4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol is O=S(=O)(c1cccs1)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol?
The InChIKey is WXXVONDSTGOUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c17-14-5-3-12(4-6-14)13-7-9-16(10-8-13)21(18,19)15-2-1-11-20-15/h1-6,11,13,17H,7-10H2.
What are the key properties of 4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol?
4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol has a molecular weight of 323.44 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol is sourced from PubChem (CID 60924806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).