N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide

C12H17NO3S — CID 95762243

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C12H17NO3S/c1-16-8-9-17(14,15)13-12-7-6-10-4-2-3-5-11(10)12/h2-5,12-13H,6-9H2,1H3/t12-/m0/s1
InChIKeyFMVCHLSBJXBTRT-LBPRGKRZSA-N
MW255.34 g/mol
LogP1.24
Rot. Bonds5

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide (PubChem CID 95762243) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide
PubChem CID95762243
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C12H17NO3S/c1-16-8-9-17(14,15)13-12-7-6-10-4-2-3-5-11(10)12/h2-5,12-13H,6-9H2,1H3/t12-/m0/s1
InChIKeyFMVCHLSBJXBTRT-LBPRGKRZSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide 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

2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
CID 95733764
3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide
CID 43654489
2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 79578857
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 56581813
(1R)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 97104066
1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 92679624
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
CID 583390
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-phenylmethoxypropane-1-sulfonamide
CID 124721706
methyl 1-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylmethyl)cyclopropane-1-carboxylate
CID 126823488
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide
CID 110399728

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide (CID 95762243) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)N[C@H]1CCc2ccccc21.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide?
The InChIKey is FMVCHLSBJXBTRT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-16-8-9-17(14,15)13-12-7-6-10-4-2-3-5-11(10)12/h2-5,12-13H,6-9H2,1H3/t12-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 95762243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).