2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide

C12H22N2O2S2 — CID 106059176

IUPAC2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C12H22N2O2S2/c1-4-13-9-11-12(6-8-17-11)18(15,16)14-7-5-10(2)3/h6,8,10,13-14H,4-5,7,9H2,1-3H3
InChIKeyDMJNTBHZOQBSRO-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.18
Rot. Bonds8

About 2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide

2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide (PubChem CID 106059176) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
PubChem CID106059176
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C12H22N2O2S2/c1-4-13-9-11-12(6-8-17-11)18(15,16)14-7-5-10(2)3/h6,8,10,13-14H,4-5,7,9H2,1-3H3
InChIKeyDMJNTBHZOQBSRO-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106059096
2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092756
N-[2-(2-methylpropoxy)ethyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085314
2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide
CID 106017003
2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
CID 106064642
N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106017177
2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide
CID 107818682
2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106085775
2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106066571
N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106078715
2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106068759

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide (CID 106059176) is 2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide is CCNCc1sccc1S(=O)(=O)NCCC(C)C.
What is the InChIKey of 2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide?
The InChIKey is DMJNTBHZOQBSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-4-13-9-11-12(6-8-17-11)18(15,16)14-7-5-10(2)3/h6,8,10,13-14H,4-5,7,9H2,1-3H3.
What are the key properties of 2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide?
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide has a molecular weight of 290.45 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106059176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).