2-(1-benzothiophen-5-ylamino)ethanesulfonamide

C10H12N2O2S2 — CID 114385062

IUPAC2-(1-benzothiophen-5-ylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ccc2sccc2c1
InChIInChI=1S/C10H12N2O2S2/c11-16(13,14)6-4-12-9-1-2-10-8(7-9)3-5-15-10/h1-3,5,7,12H,4,6H2,(H2,11,13,14)
InChIKeyHZXSTRXVUZTTNJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.60
Rot. Bonds4

About 2-(1-benzothiophen-5-ylamino)ethanesulfonamide

2-(1-benzothiophen-5-ylamino)ethanesulfonamide (PubChem CID 114385062) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-ylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(1-benzothiophen-5-ylamino)ethanesulfonamide
PubChem CID114385062
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name2-(1-benzothiophen-5-ylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ccc2sccc2c1
InChIInChI=1S/C10H12N2O2S2/c11-16(13,14)6-4-12-9-1-2-10-8(7-9)3-5-15-10/h1-3,5,7,12H,4,6H2,(H2,11,13,14)
InChIKeyHZXSTRXVUZTTNJ-UHFFFAOYSA-N
XLogP1.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine
CID 65475860
N-(1-benzothiophen-5-yl)propane-1-sulfonamide
CID 60705280
ethyl 3-(1-benzothiophen-5-ylamino)propanoate
CID 65474309
N-(1-benzothiophen-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114525182
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine
CID 112589195
N-(4-methylpentyl)-1-benzothiophen-5-amine
CID 83156262
6-(1-benzothiophen-5-ylamino)hexanoic acid
CID 65476249
N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine
CID 65475667
N-(3-phenylpropyl)-1-benzothiophen-5-amine
CID 43687656
2-(4-fluoroanilino)ethanesulfonamide
CID 114384672
N-[2-(2-methoxyethoxy)ethyl]-1-benzothiophen-5-amine
CID 65473732
N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide
CID 116528371

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-ylamino)ethanesulfonamide?
The IUPAC name of 2-(1-benzothiophen-5-ylamino)ethanesulfonamide (CID 114385062) is 2-(1-benzothiophen-5-ylamino)ethanesulfonamide.
What is the SMILES notation for 2-(1-benzothiophen-5-ylamino)ethanesulfonamide?
The canonical SMILES for 2-(1-benzothiophen-5-ylamino)ethanesulfonamide is NS(=O)(=O)CCNc1ccc2sccc2c1.
What is the InChIKey of 2-(1-benzothiophen-5-ylamino)ethanesulfonamide?
The InChIKey is HZXSTRXVUZTTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c11-16(13,14)6-4-12-9-1-2-10-8(7-9)3-5-15-10/h1-3,5,7,12H,4,6H2,(H2,11,13,14).
What are the key properties of 2-(1-benzothiophen-5-ylamino)ethanesulfonamide?
2-(1-benzothiophen-5-ylamino)ethanesulfonamide has a molecular weight of 256.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-ylamino)ethanesulfonamide is sourced from PubChem (CID 114385062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).