5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide

C13H21N3O4S — CID 119437647

IUPAC5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCCCC2C(C)N)o1
InChIInChI=1S/C13H21N3O4S/c1-9(14)10-5-3-4-8-16(10)13(17)11-6-7-12(20-11)21(18,19)15-2/h6-7,9-10,15H,3-5,8,14H2,1-2H3
InChIKeyAWZYMBHPKGVUFD-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.53
Rot. Bonds4

About 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide

5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide (PubChem CID 119437647) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
PubChem CID119437647
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCCCC2C(C)N)o1
InChIInChI=1S/C13H21N3O4S/c1-9(14)10-5-3-4-8-16(10)13(17)11-6-7-12(20-11)21(18,19)15-2/h6-7,9-10,15H,3-5,8,14H2,1-2H3
InChIKeyAWZYMBHPKGVUFD-UHFFFAOYSA-N
XLogP0.53
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide
CID 47416164
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 119434986
5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 124592409
1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 39896620
N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide
CID 55647946
N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-2-sulfonamide
CID 119493697
4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxoprop-1-enyl]-N-methylbenzenesulfonamide;hydrochloride
CID 126783366
5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 112531799
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119436332
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119436957
[2-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119436610
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone
CID 125153505

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide?
The IUPAC name of 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide (CID 119437647) is 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide.
What is the SMILES notation for 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide?
The canonical SMILES for 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide is CNS(=O)(=O)c1ccc(C(=O)N2CCCCC2C(C)N)o1.
What is the InChIKey of 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide?
The InChIKey is AWZYMBHPKGVUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-9(14)10-5-3-4-8-16(10)13(17)11-6-7-12(20-11)21(18,19)15-2/h6-7,9-10,15H,3-5,8,14H2,1-2H3.
What are the key properties of 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide?
5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide is sourced from PubChem (CID 119437647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).