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

C17H26N2O4S — CID 55761088

IUPAC(3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
SMILESCCC1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C1
InChIInChI=1S/C17H26N2O4S/c1-3-14-7-6-8-18(12-14)17(20)15-11-16(13(2)23-15)24(21,22)19-9-4-5-10-19/h11,14H,3-10,12H2,1-2H3
InChIKeyXORFSDSJNZRQPW-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.63
Rot. Bonds4

About (3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone

(3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone (PubChem CID 55761088) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is (3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
PubChem CID55761088
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name(3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
SMILESCCC1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C1
InChIInChI=1S/C17H26N2O4S/c1-3-14-7-6-8-18(12-14)17(20)15-11-16(13(2)23-15)24(21,22)19-9-4-5-10-19/h11,14H,3-10,12H2,1-2H3
InChIKeyXORFSDSJNZRQPW-UHFFFAOYSA-N
XLogP2.63
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119488674
[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
4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-carboxylic acid
CID 106586193
[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(3-ethylpiperidin-1-yl)methanone
CID 55654809
(3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid
CID 125132918
(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
3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256576

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone?
The IUPAC name of (3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone (CID 55761088) is (3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone.
What is the SMILES notation for (3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone?
The canonical SMILES for (3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone is CCC1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C1.
What is the InChIKey of (3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone?
The InChIKey is XORFSDSJNZRQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-14-7-6-8-18(12-14)17(20)15-11-16(13(2)23-15)24(21,22)19-9-4-5-10-19/h11,14H,3-10,12H2,1-2H3.
What are the key properties of (3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone?
(3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone has a molecular weight of 354.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone is sourced from PubChem (CID 55761088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).