4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide

C12H22N2O3S2 — CID 106093857

IUPAC4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCOCC(NS(=O)(=O)c1cc(CN)cs1)C(C)C
InChIInChI=1S/C12H22N2O3S2/c1-4-17-7-11(9(2)3)14-19(15,16)12-5-10(6-13)8-18-12/h5,8-9,11,14H,4,6-7,13H2,1-3H3
InChIKeyQTIMJHFKBUAYDG-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.55
Rot. Bonds8

About 4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide

4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 106093857) has the molecular formula C12H22N2O3S2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID106093857
Molecular FormulaC12H22N2O3S2
Molecular Weight306.45 g/mol
Exact Mass306.11
IUPAC Name4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCOCC(NS(=O)(=O)c1cc(CN)cs1)C(C)C
InChIInChI=1S/C12H22N2O3S2/c1-4-17-7-11(9(2)3)14-19(15,16)12-5-10(6-13)8-18-12/h5,8-9,11,14H,4,6-7,13H2,1-3H3
InChIKeyQTIMJHFKBUAYDG-UHFFFAOYSA-N
XLogP1.55
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide
CID 106067638
4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide
CID 106066825
4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 106079826
4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 114142109
4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018930
2-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)-5-fluorobenzenesulfonamide
CID 106093811
N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 106002536
5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 103223773
4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide
CID 106095139
4-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064908
3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65047904
4-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103223772

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide (CID 106093857) is 4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide is CCOCC(NS(=O)(=O)c1cc(CN)cs1)C(C)C.
What is the InChIKey of 4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is QTIMJHFKBUAYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S2/c1-4-17-7-11(9(2)3)14-19(15,16)12-5-10(6-13)8-18-12/h5,8-9,11,14H,4,6-7,13H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 306.45 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106093857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).