5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide

C13H23NO4S — CID 83147038

IUPAC5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
SMILESCc1oc(CO)cc1S(=O)(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C13H23NO4S/c1-9(13(3,4)5)7-14-19(16,17)12-6-11(8-15)18-10(12)2/h6,9,14-15H,7-8H2,1-5H3
InChIKeyGQHJZXGITACISZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.04
Rot. Bonds5

About 5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide

5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide (PubChem CID 83147038) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
PubChem CID83147038
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Name5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
SMILESCc1oc(CO)cc1S(=O)(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C13H23NO4S/c1-9(13(3,4)5)7-14-19(16,17)12-6-11(8-15)18-10(12)2/h6,9,14-15H,7-8H2,1-5H3
InChIKeyGQHJZXGITACISZ-UHFFFAOYSA-N
XLogP2.04
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701313
5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide
CID 106014493
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 107473844
5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433689
3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83145540
N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114133466
2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147220
N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 106001563
2-bromo-4-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83146874
N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114134681
5-(hydroxymethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide
CID 114134553
5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide
CID 83147123

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide (CID 83147038) is 5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide is Cc1oc(CO)cc1S(=O)(=O)NCC(C)C(C)(C)C.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide?
The InChIKey is GQHJZXGITACISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-9(13(3,4)5)7-14-19(16,17)12-6-11(8-15)18-10(12)2/h6,9,14-15H,7-8H2,1-5H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide?
5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide is sourced from PubChem (CID 83147038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).