2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide

C14H26N2O3S2 — CID 106085306

IUPAC2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NCCOCC(C)C
InChIInChI=1S/C14H26N2O3S2/c1-5-15-8-13-14(12(4)10-20-13)21(17,18)16-6-7-19-9-11(2)3/h10-11,15-16H,5-9H2,1-4H3
InChIKeyLHRUBVDITCVVSR-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.12
Rot. Bonds10

About 2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide

2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide (PubChem CID 106085306) has the molecular formula C14H26N2O3S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
PubChem CID106085306
Molecular FormulaC14H26N2O3S2
Molecular Weight334.51 g/mol
Exact Mass334.14
IUPAC Name2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NCCOCC(C)C
InChIInChI=1S/C14H26N2O3S2/c1-5-15-8-13-14(12(4)10-20-13)21(17,18)16-6-7-19-9-11(2)3/h10-11,15-16H,5-9H2,1-4H3
InChIKeyLHRUBVDITCVVSR-UHFFFAOYSA-N
XLogP2.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.12
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-(ethylaminomethyl)-4-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077447
2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141
N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 106017165
2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106093653
2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
N-[2-(2-methylpropoxy)ethyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085314
2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide
CID 106068456
4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102751963
2-(ethylaminomethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106031339
4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide
CID 106074140
2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide
CID 102752676
4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 106085428

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide (CID 106085306) is 2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide is CCNCc1scc(C)c1S(=O)(=O)NCCOCC(C)C.
What is the InChIKey of 2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide?
The InChIKey is LHRUBVDITCVVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S2/c1-5-15-8-13-14(12(4)10-20-13)21(17,18)16-6-7-19-9-11(2)3/h10-11,15-16H,5-9H2,1-4H3.
What are the key properties of 2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide?
2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide has a molecular weight of 334.51 g/mol, XLogP of 2.12, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106085306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).