N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide

C11H20N2O2S2 — CID 65192574

IUPACN-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(CN)C(C)C)s1
InChIInChI=1S/C11H20N2O2S2/c1-4-9-5-6-11(16-9)17(14,15)13-10(7-12)8(2)3/h5-6,8,10,13H,4,7,12H2,1-3H3
InChIKeyXMGUPPASWHEKQO-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.57
Rot. Bonds6

About N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide

N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide (PubChem CID 65192574) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide
PubChem CID65192574
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(CN)C(C)C)s1
InChIInChI=1S/C11H20N2O2S2/c1-4-9-5-6-11(16-9)17(14,15)13-10(7-12)8(2)3/h5-6,8,10,13H,4,7,12H2,1-3H3
InChIKeyXMGUPPASWHEKQO-UHFFFAOYSA-N
XLogP1.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-methyl-2-thiophenesulfonamide
CID 2241003
N-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide
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N-[2-(dimethylamino)ethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 6602863
5-(2-Aminoethyl)thiophene-2-sulfonamide
CID 4961948
5-(2-aminoethyl)-N,N-diethylthiophene-2-sulfonamide
CID 43420051
5-(2-Aminoethyl)thiophene-2-sulfonamide hydrochloride
CID 20203298
5-(aminomethyl)-N-ethylthiophene-2-sulfonamide
CID 43155678
(3R*,4S*)-1-[(5-ethyl-2-thienyl)sulfonyl]-4-propylpyrrolidin-3-amine
CID 72858030
N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide
CID 16887719
5-(2-Ethanesulfonamidoethyl)thiophene-2-sulfonamide
CID 43134135
N-(2-aminoethyl)-2,5-dimethylthiophene-3-sulfonamide hydrochloride
CID 71756742
5-methyl-N-{[1-(propan-2-yl)piperidin-4-yl]methyl}thiophene-2-sulfonamide
CID 16887552

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide (CID 65192574) is N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NC(CN)C(C)C)s1.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide?
The InChIKey is XMGUPPASWHEKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-4-9-5-6-11(16-9)17(14,15)13-10(7-12)8(2)3/h5-6,8,10,13H,4,7,12H2,1-3H3.
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide?
N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide has a molecular weight of 276.43 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 65192574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).