2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide

C12H19N3O4S — CID 119493911

IUPAC2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide
SMILESCNC1CCCN(C(=O)c2cc(S(N)(=O)=O)c(C)o2)C1
InChIInChI=1S/C12H19N3O4S/c1-8-11(20(13,17)18)6-10(19-8)12(16)15-5-3-4-9(7-15)14-2/h6,9,14H,3-5,7H2,1-2H3,(H2,13,17,18)
InChIKeyQDIRFALCFVWXPQ-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.06
Rot. Bonds3

About 2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide

2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide (PubChem CID 119493911) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide
PubChem CID119493911
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide
SMILESCNC1CCCN(C(=O)c2cc(S(N)(=O)=O)c(C)o2)C1
InChIInChI=1S/C12H19N3O4S/c1-8-11(20(13,17)18)6-10(19-8)12(16)15-5-3-4-9(7-15)14-2/h6,9,14H,3-5,7H2,1-2H3,(H2,13,17,18)
InChIKeyQDIRFALCFVWXPQ-UHFFFAOYSA-N
XLogP0.06
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119488674
(3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid
CID 125132918
2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 124575570
N-cyclobutyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65389029
N-cyclohexyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65374556
[3-(methylamino)piperidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119492910
5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide
CID 65387146
N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-2-sulfonamide
CID 119493697
[3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
CID 119489082
2-bromo-5-(3-methoxypiperidine-1-carbonyl)furan-3-sulfonamide
CID 102970878
2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride
CID 98113238
4-bromo-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 126768787

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide?
The IUPAC name of 2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide (CID 119493911) is 2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide?
The canonical SMILES for 2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide is CNC1CCCN(C(=O)c2cc(S(N)(=O)=O)c(C)o2)C1.
What is the InChIKey of 2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide?
The InChIKey is QDIRFALCFVWXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8-11(20(13,17)18)6-10(19-8)12(16)15-5-3-4-9(7-15)14-2/h6,9,14H,3-5,7H2,1-2H3,(H2,13,17,18).
What are the key properties of 2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide?
2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide is sourced from PubChem (CID 119493911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).