(2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide

C15H23N3O4S — CID 94178041

IUPAC(2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCCN1Cc1ccc(S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C15H23N3O4S/c16-15(19)13-5-1-2-8-17(13)11-12-6-7-14(22-12)23(20,21)18-9-3-4-10-18/h6-7,13H,1-5,8-11H2,(H2,16,19)/t13-/m1/s1
InChIKeyHWRFOZSLNMZXIY-CYBMUJFWSA-N
MW341.43 g/mol
LogP0.90
Rot. Bonds5

About (2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide

(2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide (PubChem CID 94178041) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide
PubChem CID94178041
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCCN1Cc1ccc(S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C15H23N3O4S/c16-15(19)13-5-1-2-8-17(13)11-12-6-7-14(22-12)23(20,21)18-9-3-4-10-18/h6-7,13H,1-5,8-11H2,(H2,16,19)/t13-/m1/s1
InChIKeyHWRFOZSLNMZXIY-CYBMUJFWSA-N
XLogP0.90
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910850
[1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 56578897
[(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 96528122
3-[1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 111103038
(3S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-3-ol
CID 111123221
(2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide
CID 46998192
2-(3,5-dimethylphenyl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidine
CID 86952087
1-[(5-bromofuran-2-yl)methyl]azepane-2-carboxylic acid
CID 64562185
1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide
CID 75514745
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133
1-[(3-amino-4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 43349867

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide (CID 94178041) is (2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide is NC(=O)[C@H]1CCCCN1Cc1ccc(S(=O)(=O)N2CCCC2)o1.
What is the InChIKey of (2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide?
The InChIKey is HWRFOZSLNMZXIY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O4S/c16-15(19)13-5-1-2-8-17(13)11-12-6-7-14(22-12)23(20,21)18-9-3-4-10-18/h6-7,13H,1-5,8-11H2,(H2,16,19)/t13-/m1/s1.
What are the key properties of (2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide?
(2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 94178041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).