N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide

C13H21NO4S — CID 107402674

IUPACN-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cc(CO)oc1C
InChIInChI=1S/C13H21NO4S/c1-3-14(8-11-5-4-6-11)19(16,17)13-7-12(9-15)18-10(13)2/h7,11,15H,3-6,8-9H2,1-2H3
InChIKeyKIAUOTHCSAZERQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.89
Rot. Bonds6

About N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide

N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide (PubChem CID 107402674) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
PubChem CID107402674
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cc(CO)oc1C
InChIInChI=1S/C13H21NO4S/c1-3-14(8-11-5-4-6-11)19(16,17)13-7-12(9-15)18-10(13)2/h7,11,15H,3-6,8-9H2,1-2H3
InChIKeyKIAUOTHCSAZERQ-UHFFFAOYSA-N
XLogP1.89
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide
CID 107402685
5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide
CID 107397041
3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107396992
N-(cyclobutylmethyl)-N-ethyl-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107402831
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
N-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 79014602
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107398229
N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107398325
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
3-bromo-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107402760
N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 107402616
N-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide
CID 107402717

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide (CID 107402674) is N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide is CCN(CC1CCC1)S(=O)(=O)c1cc(CO)oc1C.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide?
The InChIKey is KIAUOTHCSAZERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-3-14(8-11-5-4-6-11)19(16,17)13-7-12(9-15)18-10(13)2/h7,11,15H,3-6,8-9H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide?
N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 107402674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).