N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide

C14H20N2O3S2 — CID 102752631

IUPACN-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NC(C)Cc1ccco1
InChIInChI=1S/C14H20N2O3S2/c1-10-9-20-13(8-15-3)14(10)21(17,18)16-11(2)7-12-5-4-6-19-12/h4-6,9,11,15-16H,7-8H2,1-3H3
InChIKeyDFXQRUVFTPMBRI-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.28
Rot. Bonds7

About N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide

N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 102752631) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID102752631
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NC(C)Cc1ccco1
InChIInChI=1S/C14H20N2O3S2/c1-10-9-20-13(8-15-3)14(10)21(17,18)16-11(2)7-12-5-4-6-19-12/h4-6,9,11,15-16H,7-8H2,1-3H3
InChIKeyDFXQRUVFTPMBRI-UHFFFAOYSA-N
XLogP2.28
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide
CID 102752632
N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide
CID 61470755
N-[(2R)-1-(furan-2-yl)propan-2-yl]-5-methylthiophene-2-sulfonamide
CID 34161122
4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide
CID 106050910
N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54913578
N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055304
4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 60959654
4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide
CID 51078414
N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81258780
3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide
CID 97020376
N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 93056586
N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094597

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 102752631) is N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1scc(C)c1S(=O)(=O)NC(C)Cc1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is DFXQRUVFTPMBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-10-9-20-13(8-15-3)14(10)21(17,18)16-11(2)7-12-5-4-6-19-12/h4-6,9,11,15-16H,7-8H2,1-3H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102752631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).