4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine

C19H24N2O2S2 — CID 110637952

IUPAC4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine
SMILESO=S(=O)(c1cccs1)N1CCC(c2ccccc2)(N2CCCC2)CC1
InChIInChI=1S/C19H24N2O2S2/c22-25(23,18-9-6-16-24-18)21-14-10-19(11-15-21,20-12-4-5-13-20)17-7-2-1-3-8-17/h1-3,6-9,16H,4-5,10-15H2
InChIKeyIVVMPNQCALYAMU-UHFFFAOYSA-N
MW376.55 g/mol
LogP3.52
Rot. Bonds4

About 4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine

4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine (PubChem CID 110637952) has the molecular formula C19H24N2O2S2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine
PubChem CID110637952
Molecular FormulaC19H24N2O2S2
Molecular Weight376.55 g/mol
Exact Mass376.13
IUPAC Name4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine
SMILESO=S(=O)(c1cccs1)N1CCC(c2ccccc2)(N2CCCC2)CC1
InChIInChI=1S/C19H24N2O2S2/c22-25(23,18-9-6-16-24-18)21-14-10-19(11-15-21,20-12-4-5-13-20)17-7-2-1-3-8-17/h1-3,6-9,16H,4-5,10-15H2
InChIKeyIVVMPNQCALYAMU-UHFFFAOYSA-N
XLogP3.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid
CID 2564272
1-thiophen-2-ylsulfonylpiperidine
CID 765823
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
1-(cyclopropylmethyl)-9-thiophen-2-ylsulfonyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495842
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
1-thiophen-2-ylsulfonylpiperazin-4-ium
CID 7016013
3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135547
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 67394620
1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 51169067
1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid
CID 25187118
1-cyclopropyl-4-thiophen-2-ylsulfonylpiperazine
CID 47454442

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine?
The IUPAC name of 4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine (CID 110637952) is 4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine.
What is the SMILES notation for 4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine?
The canonical SMILES for 4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine is O=S(=O)(c1cccs1)N1CCC(c2ccccc2)(N2CCCC2)CC1.
What is the InChIKey of 4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine?
The InChIKey is IVVMPNQCALYAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S2/c22-25(23,18-9-6-16-24-18)21-14-10-19(11-15-21,20-12-4-5-13-20)17-7-2-1-3-8-17/h1-3,6-9,16H,4-5,10-15H2.
What are the key properties of 4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine?
4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine has a molecular weight of 376.55 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine is sourced from PubChem (CID 110637952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).