5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide

C10H16N2O5S2 — CID 115688805

IUPAC5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
SMILESCc1oc(C(=O)NCCCS(C)=O)cc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O5S2/c1-7-9(19(11,15)16)6-8(17-7)10(13)12-4-3-5-18(2)14/h6H,3-5H2,1-2H3,(H,12,13)(H2,11,15,16)
InChIKeyRTAUUKIMXHYBQK-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.27
Rot. Bonds6

About 5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide

5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide (PubChem CID 115688805) has the molecular formula C10H16N2O5S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
PubChem CID115688805
Molecular FormulaC10H16N2O5S2
Molecular Weight308.38 g/mol
Exact Mass308.05
IUPAC Name5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
SMILESCc1oc(C(=O)NCCCS(C)=O)cc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O5S2/c1-7-9(19(11,15)16)6-8(17-7)10(13)12-4-3-5-18(2)14/h6H,3-5H2,1-2H3,(H,12,13)(H2,11,15,16)
InChIKeyRTAUUKIMXHYBQK-UHFFFAOYSA-N
XLogP-0.27
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide
CID 115491569
5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide
CID 65387670
2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255862
N-cyclobutyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65389029
N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65387104
N-cyclohexyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65374556
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 119609057
N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride
CID 119588835
5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 113484536
5-(2-methoxyethylcarbamoyl)-2-methylfuran-3-sulfonyl chloride
CID 65368796
6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid
CID 119352297
4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230045

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide?
The IUPAC name of 5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide (CID 115688805) is 5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide is Cc1oc(C(=O)NCCCS(C)=O)cc1S(N)(=O)=O.
What is the InChIKey of 5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide?
The InChIKey is RTAUUKIMXHYBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S2/c1-7-9(19(11,15)16)6-8(17-7)10(13)12-4-3-5-18(2)14/h6H,3-5H2,1-2H3,(H,12,13)(H2,11,15,16).
What are the key properties of 5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide?
5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 115688805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).