[(1R,2R)-1-methylsulfanyl-2,3-dihydro-1H-inden-2-yl] N-ethylcarbamate

C13H17NO2S — CID 91569546

IUPAC[(1R,2R)-1-methylsulfanyl-2,3-dihydro-1H-inden-2-yl] N-ethylcarbamate
SMILESCCNC(=O)O[C@@H]1Cc2ccccc2[C@H]1SC
InChIInChI=1S/C13H17NO2S/c1-3-14-13(15)16-11-8-9-6-4-5-7-10(9)12(11)17-2/h4-7,11-12H,3,8H2,1-2H3,(H,14,15)/t11-,12-/m1/s1
InChIKeyHNEZSRJNNFFOAL-VXGBXAGGSA-N
MW251.35 g/mol
LogP2.76
Rot. Bonds3

About [(1R,2R)-1-methylsulfanyl-2,3-dihydro-1H-inden-2-yl] N-ethylcarbamate

[(1R,2R)-1-methylsulfanyl-2,3-dihydro-1H-inden-2-yl] N-ethylcarbamate (PubChem CID 91569546) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is [(1R,2R)-1-methylsulfanyl-2,3-dihydro-1H-inden-2-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[(1R,2R)-1-methylsulfanyl-2,3-dihydro-1H-inden-2-yl] N-ethylcarbamate
PubChem CID91569546
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name[(1R,2R)-1-methylsulfanyl-2,3-dihydro-1H-inden-2-yl] N-ethylcarbamate
SMILESCCNC(=O)O[C@@H]1Cc2ccccc2[C@H]1SC
InChIInChI=1S/C13H17NO2S/c1-3-14-13(15)16-11-8-9-6-4-5-7-10(9)12(11)17-2/h4-7,11-12H,3,8H2,1-2H3,(H,14,15)/t11-,12-/m1/s1
InChIKeyHNEZSRJNNFFOAL-VXGBXAGGSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,2R)-1-methylsulfanyl-2,3-dihydro-1H-inden-2-yl] N-ethylcarbamate 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

2,3-dihydro-1H-inden-2-yl N-propan-2-ylcarbamate
CID 23548773
2,3-dihydro-1H-inden-2-yl N-methylcarbamate
CID 23548774
9H-fluoren-9-ylmethyl N-[2-(2-oxopropylsulfanyl)ethyl]carbamate
CID 23588594
9H-fluoren-9-ylmethyl N-(2-methyl-3-methylsulfanylpropyl)carbamate
CID 23588595
9H-fluoren-9-ylmethyl N-(2-methylsulfanylethyl)carbamate
CID 23588596
S-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl] ethanethioate
CID 23597232
9H-fluoren-9-ylmethyl N-(3-methylsulfanylpropyl)carbamate
CID 59918052
9H-fluoren-9-ylmethyl N-(2-thiocyanatoethyl)carbamate
CID 87149300
[2-ethenyl-3-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-1-yl]methyl N-(2-fluoro-2-oxoethyl)carbamate;methylsulfanylethane
CID 142863594
9H-fluoren-9-ylmethyl N-[(2R)-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfanylpropan-2-yl]carbamate
CID 154982059
9H-fluoren-9-ylmethyl N-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfanylethyl]carbamate
CID 154982071
2,3-dihydro-1H-inden-2-yl N-[(E)-4-aminobut-2-enyl]carbamate
CID 156899525

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-methylsulfanyl-2,3-dihydro-1H-inden-2-yl] N-ethylcarbamate?
The IUPAC name of [(1R,2R)-1-methylsulfanyl-2,3-dihydro-1H-inden-2-yl] N-ethylcarbamate (CID 91569546) is [(1R,2R)-1-methylsulfanyl-2,3-dihydro-1H-inden-2-yl] N-ethylcarbamate.
What is the SMILES notation for [(1R,2R)-1-methylsulfanyl-2,3-dihydro-1H-inden-2-yl] N-ethylcarbamate?
The canonical SMILES for [(1R,2R)-1-methylsulfanyl-2,3-dihydro-1H-inden-2-yl] N-ethylcarbamate is CCNC(=O)O[C@@H]1Cc2ccccc2[C@H]1SC.
What is the InChIKey of [(1R,2R)-1-methylsulfanyl-2,3-dihydro-1H-inden-2-yl] N-ethylcarbamate?
The InChIKey is HNEZSRJNNFFOAL-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-3-14-13(15)16-11-8-9-6-4-5-7-10(9)12(11)17-2/h4-7,11-12H,3,8H2,1-2H3,(H,14,15)/t11-,12-/m1/s1.
What are the key properties of [(1R,2R)-1-methylsulfanyl-2,3-dihydro-1H-inden-2-yl] N-ethylcarbamate?
[(1R,2R)-1-methylsulfanyl-2,3-dihydro-1H-inden-2-yl] N-ethylcarbamate has a molecular weight of 251.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-methylsulfanyl-2,3-dihydro-1H-inden-2-yl] N-ethylcarbamate is sourced from PubChem (CID 91569546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).