(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone

C15H23N3O4S — CID 55752514

IUPAC(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
SMILESCc1oc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H23N3O4S/c1-12-14(23(20,21)18-5-3-4-6-18)11-13(22-12)15(19)17-9-7-16(2)8-10-17/h11H,3-10H2,1-2H3
InChIKeyLHOSPEWGSAHETK-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.76
Rot. Bonds3

About (4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone

(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone (PubChem CID 55752514) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
PubChem CID55752514
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
SMILESCc1oc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H23N3O4S/c1-12-14(23(20,21)18-5-3-4-6-18)11-13(22-12)15(19)17-9-7-16(2)8-10-17/h11H,3-10H2,1-2H3
InChIKeyLHOSPEWGSAHETK-UHFFFAOYSA-N
XLogP0.76
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxyphenyl)-[4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 55849974
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119543461
[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119488674
3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256576
4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119239175
(3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55761088
(3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone
CID 55951019
N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883965
[4-(2,4-difluorophenoxy)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 112836234
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119631623
(2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride
CID 120572033
5-methyl-4-(1,4-thiazepan-4-ylsulfonyl)furan-2-carboxylic acid
CID 62805219

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone (CID 55752514) is (4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone is Cc1oc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone?
The InChIKey is LHOSPEWGSAHETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-12-14(23(20,21)18-5-3-4-6-18)11-13(22-12)15(19)17-9-7-16(2)8-10-17/h11H,3-10H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone?
(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone has a molecular weight of 341.43 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone is sourced from PubChem (CID 55752514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).