2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate

C8H13N3O5S — CID 83210287

IUPAC2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate
SMILESNC(=O)OCCNCc1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C8H13N3O5S/c9-8(12)15-4-3-11-5-6-1-2-7(16-6)17(10,13)14/h1-2,11H,3-5H2,(H2,9,12)(H2,10,13,14)
InChIKeyLUDFDMXGYZSHCV-UHFFFAOYSA-N
MW263.27 g/mol
LogP-0.89
Rot. Bonds6

About 2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate

2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate (PubChem CID 83210287) has the molecular formula C8H13N3O5S and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate
PubChem CID83210287
Molecular FormulaC8H13N3O5S
Molecular Weight263.27 g/mol
Exact Mass263.06
IUPAC Name2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate
SMILESNC(=O)OCCNCc1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C8H13N3O5S/c9-8(12)15-4-3-11-5-6-1-2-7(16-6)17(10,13)14/h1-2,11H,3-5H2,(H2,9,12)(H2,10,13,14)
InChIKeyLUDFDMXGYZSHCV-UHFFFAOYSA-N
XLogP-0.89
TPSA137.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide
CID 106841053
5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide
CID 106245527
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide
CID 106158296
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanesulfonamide
CID 64580129
5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
CID 102904622
5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide
CID 106039792
5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide
CID 106233401
5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide
CID 113484035
5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid
CID 154876227
5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide
CID 106370676
5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide
CID 107865049
5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide
CID 102701246

Frequently Asked Questions

What is the IUPAC name of 2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate (CID 83210287) is 2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate is NC(=O)OCCNCc1ccc(S(N)(=O)=O)o1.
What is the InChIKey of 2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate?
The InChIKey is LUDFDMXGYZSHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S/c9-8(12)15-4-3-11-5-6-1-2-7(16-6)17(10,13)14/h1-2,11H,3-5H2,(H2,9,12)(H2,10,13,14).
What are the key properties of 2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate?
2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate has a molecular weight of 263.27 g/mol, XLogP of -0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate is sourced from PubChem (CID 83210287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).