5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide

C12H23N3O3S — CID 106034427

IUPAC5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cc(CN)oc1C
InChIInChI=1S/C12H23N3O3S/c1-4-15(5-2)7-6-14-19(16,17)12-8-11(9-13)18-10(12)3/h8,14H,4-7,9,13H2,1-3H3
InChIKeyVEPPTVYTTVFLAG-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.67
Rot. Bonds8

About 5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide

5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide (PubChem CID 106034427) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide
PubChem CID106034427
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cc(CN)oc1C
InChIInChI=1S/C12H23N3O3S/c1-4-15(5-2)7-6-14-19(16,17)12-8-11(9-13)18-10(12)3/h8,14H,4-7,9,13H2,1-3H3
InChIKeyVEPPTVYTTVFLAG-UHFFFAOYSA-N
XLogP0.67
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059070
5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
CID 114174620
5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide
CID 106049664
5-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylfuran-3-sulfonamide
CID 106085167
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide
CID 114138879
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylfuran-3-sulfonamide
CID 106079921
5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79961695
5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
CID 106067984
5-(aminomethyl)-N-(2-cyclohexyloxyethyl)-2-methylfuran-3-sulfonamide
CID 106062887
5-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106064455
5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylfuran-3-sulfonamide
CID 106304313
5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide
CID 106055327

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide (CID 106034427) is 5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide is CCN(CC)CCNS(=O)(=O)c1cc(CN)oc1C.
What is the InChIKey of 5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide?
The InChIKey is VEPPTVYTTVFLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-4-15(5-2)7-6-14-19(16,17)12-8-11(9-13)18-10(12)3/h8,14H,4-7,9,13H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide?
5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 106034427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).