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

C12H15NO3S2 — CID 99980288

IUPACN-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide
SMILESC[C@@](O)(CNS(C)(=O)=O)c1cc2ccccc2s1
InChIInChI=1S/C12H15NO3S2/c1-12(14,8-13-18(2,15)16)11-7-9-5-3-4-6-10(9)17-11/h3-7,13-14H,8H2,1-2H3/t12-/m1/s1
InChIKeyDSFWZYQKRDYJFE-GFCCVEGCSA-N
MW285.39 g/mol
LogP1.66
Rot. Bonds4

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

N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide (PubChem CID 99980288) has the molecular formula C12H15NO3S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide
PubChem CID99980288
Molecular FormulaC12H15NO3S2
Molecular Weight285.39 g/mol
Exact Mass285.05
IUPAC NameN-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide
SMILESC[C@@](O)(CNS(C)(=O)=O)c1cc2ccccc2s1
InChIInChI=1S/C12H15NO3S2/c1-12(14,8-13-18(2,15)16)11-7-9-5-3-4-6-10(9)17-11/h3-7,13-14H,8H2,1-2H3/t12-/m1/s1
InChIKeyDSFWZYQKRDYJFE-GFCCVEGCSA-N
XLogP1.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]ethanesulfonamide
CID 99980295
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-fluorobenzenesulfonamide
CID 86264004
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-fluorobenzenesulfonamide
CID 99980328
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide
CID 99979783
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 99980522
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 86264013
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 86264022
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 99979795
N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
CID 95368033
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-naphthalen-1-ylacetamide
CID 99980052
2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol
CID 114910768
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide
CID 86263942

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide?
The IUPAC name of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide (CID 99980288) is N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide?
The canonical SMILES for N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide is C[C@@](O)(CNS(C)(=O)=O)c1cc2ccccc2s1.
What is the InChIKey of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide?
The InChIKey is DSFWZYQKRDYJFE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO3S2/c1-12(14,8-13-18(2,15)16)11-7-9-5-3-4-6-10(9)17-11/h3-7,13-14H,8H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide?
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide has a molecular weight of 285.39 g/mol, XLogP of 1.66, 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-2-yl)-2-hydroxypropyl]methanesulfonamide is sourced from PubChem (CID 99980288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).