N-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide

C12H20N2O2S2 — CID 114265104

IUPACN-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide
SMILESC=CCCN(C)S(=O)(=O)c1ccsc1CNCC
InChIInChI=1S/C12H20N2O2S2/c1-4-6-8-14(3)18(15,16)12-7-9-17-11(12)10-13-5-2/h4,7,9,13H,1,5-6,8,10H2,2-3H3
InChIKeyKKSGZOLTNIDQAG-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.05
Rot. Bonds8

About N-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide

N-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide (PubChem CID 114265104) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide
PubChem CID114265104
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide
SMILESC=CCCN(C)S(=O)(=O)c1ccsc1CNCC
InChIInChI=1S/C12H20N2O2S2/c1-4-6-8-14(3)18(15,16)12-7-9-17-11(12)10-13-5-2/h4,7,9,13H,1,5-6,8,10H2,2-3H3
InChIKeyKKSGZOLTNIDQAG-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methylsulfanylethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 112667299
N-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide
CID 114265091
2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide
CID 81068553
2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 81064513
2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
CID 106064642
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
N-but-3-enyl-2-chloro-N-methyl-5-nitrobenzenesulfonamide
CID 114265138
N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide
CID 112667445
N-but-3-enyl-N-methyl-5-(methylaminomethyl)furan-2-sulfonamide
CID 114265090
N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106007249
3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43294757
methyl 3-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 3742759

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide?
The IUPAC name of N-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide (CID 114265104) is N-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide?
The canonical SMILES for N-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide is C=CCCN(C)S(=O)(=O)c1ccsc1CNCC.
What is the InChIKey of N-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide?
The InChIKey is KKSGZOLTNIDQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-4-6-8-14(3)18(15,16)12-7-9-17-11(12)10-13-5-2/h4,7,9,13H,1,5-6,8,10H2,2-3H3.
What are the key properties of N-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide?
N-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-(ethylaminomethyl)-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 114265104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).