[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone

C16H25N3O4S — CID 119488674

IUPAC[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
SMILESCNC1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C1
InChIInChI=1S/C16H25N3O4S/c1-12-15(24(21,22)19-8-3-4-9-19)10-14(23-12)16(20)18-7-5-6-13(11-18)17-2/h10,13,17H,3-9,11H2,1-2H3
InChIKeyHSYMSFNKNBOMOR-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.20
Rot. Bonds4

About [3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone

[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone (PubChem CID 119488674) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
PubChem CID119488674
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
SMILESCNC1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C1
InChIInChI=1S/C16H25N3O4S/c1-12-15(24(21,22)19-8-3-4-9-19)10-14(23-12)16(20)18-7-5-6-13(11-18)17-2/h10,13,17H,3-9,11H2,1-2H3
InChIKeyHSYMSFNKNBOMOR-UHFFFAOYSA-N
XLogP1.20
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide
CID 119493911
(3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55761088
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119543461
4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119239175
(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55752514
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119631623
[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119488448
(3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid
CID 125132918
5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 119425165
(2-hydroxyphenyl)-[4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 55849974
4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid
CID 62804142
(3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone
CID 55951019

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone (CID 119488674) is [3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone is CNC1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone?
The InChIKey is HSYMSFNKNBOMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-12-15(24(21,22)19-8-3-4-9-19)10-14(23-12)16(20)18-7-5-6-13(11-18)17-2/h10,13,17H,3-9,11H2,1-2H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone?
[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone has a molecular weight of 355.46 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone is sourced from PubChem (CID 119488674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).