3-[1-(sulfamoylamino)ethyl]-1-benzothiophene

C10H12N2O2S2 — CID 11637451

IUPAC3-[1-(sulfamoylamino)ethyl]-1-benzothiophene
SMILESCC(NS(N)(=O)=O)c1csc2ccccc12
InChIInChI=1S/C10H12N2O2S2/c1-7(12-16(11,13)14)9-6-15-10-5-3-2-4-8(9)10/h2-7,12H,1H3,(H2,11,13,14)
InChIKeyHEBFRCMBRXEWNP-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.76
Rot. Bonds3

About 3-[1-(sulfamoylamino)ethyl]-1-benzothiophene

3-[1-(sulfamoylamino)ethyl]-1-benzothiophene (PubChem CID 11637451) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[1-(sulfamoylamino)ethyl]-1-benzothiophene.

Molecular Properties

Compound Name3-[1-(sulfamoylamino)ethyl]-1-benzothiophene
PubChem CID11637451
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name3-[1-(sulfamoylamino)ethyl]-1-benzothiophene
SMILESCC(NS(N)(=O)=O)c1csc2ccccc12
InChIInChI=1S/C10H12N2O2S2/c1-7(12-16(11,13)14)9-6-15-10-5-3-2-4-8(9)10/h2-7,12H,1H3,(H2,11,13,14)
InChIKeyHEBFRCMBRXEWNP-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(sulfamoylamino)ethyl]-1-benzothiophene?
The IUPAC name of 3-[1-(sulfamoylamino)ethyl]-1-benzothiophene (CID 11637451) is 3-[1-(sulfamoylamino)ethyl]-1-benzothiophene.
What is the SMILES notation for 3-[1-(sulfamoylamino)ethyl]-1-benzothiophene?
The canonical SMILES for 3-[1-(sulfamoylamino)ethyl]-1-benzothiophene is CC(NS(N)(=O)=O)c1csc2ccccc12.
What is the InChIKey of 3-[1-(sulfamoylamino)ethyl]-1-benzothiophene?
The InChIKey is HEBFRCMBRXEWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c1-7(12-16(11,13)14)9-6-15-10-5-3-2-4-8(9)10/h2-7,12H,1H3,(H2,11,13,14).
What are the key properties of 3-[1-(sulfamoylamino)ethyl]-1-benzothiophene?
3-[1-(sulfamoylamino)ethyl]-1-benzothiophene has a molecular weight of 256.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(sulfamoylamino)ethyl]-1-benzothiophene is sourced from PubChem (CID 11637451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).