5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C15H23N3O4S — CID 119425165

IUPAC5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)NC2CCCNC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H23N3O4S/c1-11-14(23(20,21)18-7-2-3-8-18)9-13(22-11)15(19)17-12-5-4-6-16-10-12/h9,12,16H,2-8,10H2,1H3,(H,17,19)
InChIKeyPITTWOUSXPRZNR-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.85
Rot. Bonds4

About 5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 119425165) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID119425165
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)NC2CCCNC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H23N3O4S/c1-11-14(23(20,21)18-7-2-3-8-18)9-13(22-11)15(19)17-12-5-4-6-16-10-12/h9,12,16H,2-8,10H2,1H3,(H,17,19)
InChIKeyPITTWOUSXPRZNR-UHFFFAOYSA-N
XLogP0.85
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylsulfamoyl)-5-methyl-N-piperidin-3-ylfuran-2-carboxamide
CID 119429351
N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 86868736
3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428202
N-piperidin-3-yl-2-piperidin-1-ylsulfonylbenzamide
CID 119425802
N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride
CID 119441800
3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426236
[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119488674
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 94829019
5-methyl-N-piperidin-3-ylfuran-2-carboxamide
CID 43603726
N-cyclobutyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65389029
5-ethyl-4-methyl-N-piperidin-3-ylfuran-2-carboxamide;hydrochloride
CID 91659642
2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of 5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 119425165) is 5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for 5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is Cc1oc(C(=O)NC2CCCNC2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is PITTWOUSXPRZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-11-14(23(20,21)18-7-2-3-8-18)9-13(22-11)15(19)17-12-5-4-6-16-10-12/h9,12,16H,2-8,10H2,1H3,(H,17,19).
What are the key properties of 5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 119425165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).