2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide

C13H22N2O3S2 — CID 106078516

IUPAC2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2CCSCC2)c(C)o1
InChIInChI=1S/C13H22N2O3S2/c1-10-13(7-12(18-10)9-14-2)20(16,17)15-8-11-3-5-19-6-4-11/h7,11,14-15H,3-6,8-9H2,1-2H3
InChIKeyHRONECNKIPDBBA-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.73
Rot. Bonds6

About 2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide

2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide (PubChem CID 106078516) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide
PubChem CID106078516
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2CCSCC2)c(C)o1
InChIInChI=1S/C13H22N2O3S2/c1-10-13(7-12(18-10)9-14-2)20(16,17)15-8-11-3-5-19-6-4-11/h7,11,14-15H,3-6,8-9H2,1-2H3
InChIKeyHRONECNKIPDBBA-UHFFFAOYSA-N
XLogP1.73
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106062930
2-methyl-5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]furan-3-sulfonamide
CID 106089872
5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 106078542
N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide
CID 106025005
2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063015
N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 106080376
2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide
CID 106073692
5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 115690359
5-(aminomethyl)-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]furan-3-sulfonamide
CID 106052876
4-chloro-3-(methylaminomethyl)-N-(thian-4-ylmethyl)benzenesulfonamide
CID 106078532
2-bromo-5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089115
5-methyl-4-(methylaminomethyl)-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106078547

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide?
The IUPAC name of 2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide (CID 106078516) is 2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide is CNCc1cc(S(=O)(=O)NCC2CCSCC2)c(C)o1.
What is the InChIKey of 2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide?
The InChIKey is HRONECNKIPDBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-10-13(7-12(18-10)9-14-2)20(16,17)15-8-11-3-5-19-6-4-11/h7,11,14-15H,3-6,8-9H2,1-2H3.
What are the key properties of 2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide?
2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide is sourced from PubChem (CID 106078516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).