1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine

C16H27N3O3S — CID 86993095

IUPAC1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine
SMILESCC(C)N1CCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1
InChIInChI=1S/C16H27N3O3S/c1-14(2)18-11-9-17(10-12-18)13-15-5-6-16(22-15)23(20,21)19-7-3-4-8-19/h5-6,14H,3-4,7-13H2,1-2H3
InChIKeyAJOSJCUROQQLBI-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.59
Rot. Bonds5

About 1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine

1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine (PubChem CID 86993095) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine
PubChem CID86993095
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine
SMILESCC(C)N1CCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1
InChIInChI=1S/C16H27N3O3S/c1-14(2)18-11-9-17(10-12-18)13-15-5-6-16(22-15)23(20,21)19-7-3-4-8-19/h5-6,14H,3-4,7-13H2,1-2H3
InChIKeyAJOSJCUROQQLBI-UHFFFAOYSA-N
XLogP1.59
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 47038783
(3S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-3-ol
CID 111123221
2-methyl-2-phenyl-1-[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 55728971
1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine
CID 97056140
N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 55739537
3,5-difluoro-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]aniline
CID 71998042
(3-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 78880568
(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine
CID 97076108
5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55828293
2-(3,5-dimethylphenyl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidine
CID 86952087
[(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 96528122
(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910850

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine?
The IUPAC name of 1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine (CID 86993095) is 1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine?
The canonical SMILES for 1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine is CC(C)N1CCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1.
What is the InChIKey of 1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine?
The InChIKey is AJOSJCUROQQLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-14(2)18-11-9-17(10-12-18)13-15-5-6-16(22-15)23(20,21)19-7-3-4-8-19/h5-6,14H,3-4,7-13H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine?
1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine has a molecular weight of 341.48 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine is sourced from PubChem (CID 86993095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).