N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]methanesulfonamide

C11H13NO3S2 — CID 100725631

IUPACN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H](O)c1csc2ccccc12
InChIInChI=1S/C11H13NO3S2/c1-17(14,15)12-6-10(13)9-7-16-11-5-3-2-4-8(9)11/h2-5,7,10,12-13H,6H2,1H3/t10-/m0/s1
InChIKeyFHGWUGPTUUNDGO-JTQLQIEISA-N
MW271.36 g/mol
LogP1.48
Rot. Bonds4

About N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]methanesulfonamide

N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]methanesulfonamide (PubChem CID 100725631) has the molecular formula C11H13NO3S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]methanesulfonamide
PubChem CID100725631
Molecular FormulaC11H13NO3S2
Molecular Weight271.36 g/mol
Exact Mass271.03
IUPAC NameN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H](O)c1csc2ccccc12
InChIInChI=1S/C11H13NO3S2/c1-17(14,15)12-6-10(13)9-7-16-11-5-3-2-4-8(9)11/h2-5,7,10,12-13H,6H2,1H3/t10-/m0/s1
InChIKeyFHGWUGPTUUNDGO-JTQLQIEISA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]methanesulfonamide?
The IUPAC name of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]methanesulfonamide (CID 100725631) is N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]methanesulfonamide?
The canonical SMILES for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]methanesulfonamide is CS(=O)(=O)NC[C@H](O)c1csc2ccccc12.
What is the InChIKey of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]methanesulfonamide?
The InChIKey is FHGWUGPTUUNDGO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO3S2/c1-17(14,15)12-6-10(13)9-7-16-11-5-3-2-4-8(9)11/h2-5,7,10,12-13H,6H2,1H3/t10-/m0/s1.
What are the key properties of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]methanesulfonamide?
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]methanesulfonamide has a molecular weight of 271.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]methanesulfonamide is sourced from PubChem (CID 100725631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).