2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide

C11H20N2O3S — CID 99852828

IUPAC2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide
SMILESCNC[C@@H](C)CNS(=O)(=O)c1cc(C)oc1C
InChIInChI=1S/C11H20N2O3S/c1-8(6-12-4)7-13-17(14,15)11-5-9(2)16-10(11)3/h5,8,12-13H,6-7H2,1-4H3/t8-/m1/s1
InChIKeyAQRIZWGJBAXBRK-MRVPVSSYSA-N
MW260.36 g/mol
LogP1.03
Rot. Bonds6

About 2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide

2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide (PubChem CID 99852828) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide
PubChem CID99852828
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide
SMILESCNC[C@@H](C)CNS(=O)(=O)c1cc(C)oc1C
InChIInChI=1S/C11H20N2O3S/c1-8(6-12-4)7-13-17(14,15)11-5-9(2)16-10(11)3/h5,8,12-13H,6-7H2,1-4H3/t8-/m1/s1
InChIKeyAQRIZWGJBAXBRK-MRVPVSSYSA-N
XLogP1.03
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302766
4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 113282581
2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302721
N-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide
CID 75497652
5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302942
2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide
CID 81487603
4-bromo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 113282590
5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147038
2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide
CID 86784602
5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701313
N-[2-methyl-3-(methylamino)propyl]-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 115302795
N-[2-methyl-3-(methylamino)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 115302773

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide (CID 99852828) is 2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide is CNC[C@@H](C)CNS(=O)(=O)c1cc(C)oc1C.
What is the InChIKey of 2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide?
The InChIKey is AQRIZWGJBAXBRK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(6-12-4)7-13-17(14,15)11-5-9(2)16-10(11)3/h5,8,12-13H,6-7H2,1-4H3/t8-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide?
2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide is sourced from PubChem (CID 99852828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).