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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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).