2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide

C14H24N2O3S2 — CID 106081609

IUPAC2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NC2CCCSC2)c(C)o1
InChIInChI=1S/C14H24N2O3S2/c1-3-6-15-9-13-8-14(11(2)19-13)21(17,18)16-12-5-4-7-20-10-12/h8,12,15-16H,3-7,9-10H2,1-2H3
InChIKeyXYBLSKUXPVSYPV-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.26
Rot. Bonds7

About 2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide

2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide (PubChem CID 106081609) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide
PubChem CID106081609
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NC2CCCSC2)c(C)o1
InChIInChI=1S/C14H24N2O3S2/c1-3-6-15-9-13-8-14(11(2)19-13)21(17,18)16-12-5-4-7-20-10-12/h8,12,15-16H,3-7,9-10H2,1-2H3
InChIKeyXYBLSKUXPVSYPV-UHFFFAOYSA-N
XLogP2.26
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.26
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

2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide
CID 106086445
2-bromo-5-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081454
N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide
CID 106025005
4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081622
2-bromo-4-(propylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086331
N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide
CID 114552223
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106061132
5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide
CID 106081559
3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide
CID 107407005
2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide
CID 106070165
2-bromo-5-(ethylaminomethyl)-N-(thian-3-yl)benzenesulfonamide
CID 106081365
2,5-dibromo-4-methyl-N-(thian-3-yl)benzenesulfonamide
CID 115698659

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide?
The IUPAC name of 2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide (CID 106081609) is 2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide is CCCNCc1cc(S(=O)(=O)NC2CCCSC2)c(C)o1.
What is the InChIKey of 2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide?
The InChIKey is XYBLSKUXPVSYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-3-6-15-9-13-8-14(11(2)19-13)21(17,18)16-12-5-4-7-20-10-12/h8,12,15-16H,3-7,9-10H2,1-2H3.
What are the key properties of 2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide?
2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide is sourced from PubChem (CID 106081609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).