N-tert-butyl-5-(2-methylpropyl)thiophene-2-sulfonamide

C12H21NO2S2 — CID 11482758

IUPACN-tert-butyl-5-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C12H21NO2S2/c1-9(2)8-10-6-7-11(16-10)17(14,15)13-12(3,4)5/h6-7,9,13H,8H2,1-5H3
InChIKeyWIUWFYRLRHCXNP-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.02
Rot. Bonds4

About N-tert-butyl-5-(2-methylpropyl)thiophene-2-sulfonamide

N-tert-butyl-5-(2-methylpropyl)thiophene-2-sulfonamide (PubChem CID 11482758) has the molecular formula C12H21NO2S2 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-tert-butyl-5-(2-methylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-(2-methylpropyl)thiophene-2-sulfonamide
PubChem CID11482758
Molecular FormulaC12H21NO2S2
Molecular Weight275.44 g/mol
Exact Mass275.10
IUPAC NameN-tert-butyl-5-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C12H21NO2S2/c1-9(2)8-10-6-7-11(16-10)17(14,15)13-12(3,4)5/h6-7,9,13H,8H2,1-5H3
InChIKeyWIUWFYRLRHCXNP-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2-methylpropyl)thiophene-2-sulfonamide?
The IUPAC name of N-tert-butyl-5-(2-methylpropyl)thiophene-2-sulfonamide (CID 11482758) is N-tert-butyl-5-(2-methylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-5-(2-methylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for N-tert-butyl-5-(2-methylpropyl)thiophene-2-sulfonamide is CC(C)Cc1ccc(S(=O)(=O)NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-5-(2-methylpropyl)thiophene-2-sulfonamide?
The InChIKey is WIUWFYRLRHCXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S2/c1-9(2)8-10-6-7-11(16-10)17(14,15)13-12(3,4)5/h6-7,9,13H,8H2,1-5H3.
What are the key properties of N-tert-butyl-5-(2-methylpropyl)thiophene-2-sulfonamide?
N-tert-butyl-5-(2-methylpropyl)thiophene-2-sulfonamide has a molecular weight of 275.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2-methylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 11482758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).