N-[(1S)-1-(1-benzothiophen-6-yl)ethyl]-2-methylpropane-2-sulfonamide

C14H19NO2S2 — CID 178165232

IUPACN-[(1S)-1-(1-benzothiophen-6-yl)ethyl]-2-methylpropane-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)C(C)(C)C)c1ccc2ccsc2c1
InChIInChI=1S/C14H19NO2S2/c1-10(15-19(16,17)14(2,3)4)12-6-5-11-7-8-18-13(11)9-12/h5-10,15H,1-4H3/t10-/m0/s1
InChIKeyLXUKEQQTUHZTPE-JTQLQIEISA-N
MW297.44 g/mol
LogP3.68
Rot. Bonds3

About N-[(1S)-1-(1-benzothiophen-6-yl)ethyl]-2-methylpropane-2-sulfonamide

N-[(1S)-1-(1-benzothiophen-6-yl)ethyl]-2-methylpropane-2-sulfonamide (PubChem CID 178165232) has the molecular formula C14H19NO2S2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzothiophen-6-yl)ethyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzothiophen-6-yl)ethyl]-2-methylpropane-2-sulfonamide
PubChem CID178165232
Molecular FormulaC14H19NO2S2
Molecular Weight297.44 g/mol
Exact Mass297.09
IUPAC NameN-[(1S)-1-(1-benzothiophen-6-yl)ethyl]-2-methylpropane-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)C(C)(C)C)c1ccc2ccsc2c1
InChIInChI=1S/C14H19NO2S2/c1-10(15-19(16,17)14(2,3)4)12-6-5-11-7-8-18-13(11)9-12/h5-10,15H,1-4H3/t10-/m0/s1
InChIKeyLXUKEQQTUHZTPE-JTQLQIEISA-N
XLogP3.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzothiophen-6-yl)ethyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(1S)-1-(1-benzothiophen-6-yl)ethyl]-2-methylpropane-2-sulfonamide (CID 178165232) is N-[(1S)-1-(1-benzothiophen-6-yl)ethyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(1-benzothiophen-6-yl)ethyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(1S)-1-(1-benzothiophen-6-yl)ethyl]-2-methylpropane-2-sulfonamide is C[C@H](NS(=O)(=O)C(C)(C)C)c1ccc2ccsc2c1.
What is the InChIKey of N-[(1S)-1-(1-benzothiophen-6-yl)ethyl]-2-methylpropane-2-sulfonamide?
The InChIKey is LXUKEQQTUHZTPE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19NO2S2/c1-10(15-19(16,17)14(2,3)4)12-6-5-11-7-8-18-13(11)9-12/h5-10,15H,1-4H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzothiophen-6-yl)ethyl]-2-methylpropane-2-sulfonamide?
N-[(1S)-1-(1-benzothiophen-6-yl)ethyl]-2-methylpropane-2-sulfonamide has a molecular weight of 297.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzothiophen-6-yl)ethyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 178165232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).