5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide

C13H21N3O4S — CID 124592409

IUPAC5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@H](C)N)C2)o1
InChIInChI=1S/C13H21N3O4S/c1-9(14)10-4-3-7-16(8-10)13(17)11-5-6-12(20-11)21(18,19)15-2/h5-6,9-10,15H,3-4,7-8,14H2,1-2H3/t9-,10+/m0/s1
InChIKeyJCXOUKJELFCZEM-VHSXEESVSA-N
MW315.40 g/mol
LogP0.39
Rot. Bonds4

About 5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide

5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide (PubChem CID 124592409) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
PubChem CID124592409
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@H](C)N)C2)o1
InChIInChI=1S/C13H21N3O4S/c1-9(14)10-4-3-7-16(8-10)13(17)11-5-6-12(20-11)21(18,19)15-2/h5-6,9-10,15H,3-4,7-8,14H2,1-2H3/t9-,10+/m0/s1
InChIKeyJCXOUKJELFCZEM-VHSXEESVSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-2-sulfonamide
CID 119493697
5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 112531799
5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 119437647
N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide
CID 47416164
N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide
CID 55647946
N-methyl-5-[(2R)-2-methylmorpholine-4-carbonyl]furan-2-sulfonamide
CID 94023334
1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 39896620
5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylfuran-2-sulfonamide
CID 39878222
N-methyl-5-(4-oxopiperidine-1-carbonyl)furan-2-sulfonamide
CID 112531251
N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide
CID 119595265
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
CID 124690767
[3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 119592675

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide?
The IUPAC name of 5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide (CID 124592409) is 5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide.
What is the SMILES notation for 5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide?
The canonical SMILES for 5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide is CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@H](C)N)C2)o1.
What is the InChIKey of 5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide?
The InChIKey is JCXOUKJELFCZEM-VHSXEESVSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-9(14)10-4-3-7-16(8-10)13(17)11-5-6-12(20-11)21(18,19)15-2/h5-6,9-10,15H,3-4,7-8,14H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of 5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide?
5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide is sourced from PubChem (CID 124592409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).