cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol

C16H23NOS — CID 97323296

IUPACcis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
SMILESCCS[C@@H]1CC[C@@]1(O)CN[C@@H]1CCc2ccccc21
InChIInChI=1S/C16H23NOS/c1-2-19-15-9-10-16(15,18)11-17-14-8-7-12-5-3-4-6-13(12)14/h3-6,14-15,17-18H,2,7-11H2,1H3/t14-,15-,16-/m1/s1
InChIKeyIVABNEZAKYDYOG-BZUAXINKSA-N
MW277.43 g/mol
LogP2.91
Rot. Bonds5

About cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol

cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol (PubChem CID 97323296) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
PubChem CID97323296
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Namecis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
SMILESCCS[C@@H]1CC[C@@]1(O)CN[C@@H]1CCc2ccccc21
InChIInChI=1S/C16H23NOS/c1-2-19-15-9-10-16(15,18)11-17-14-8-7-12-5-3-4-6-13(12)14/h3-6,14-15,17-18H,2,7-11H2,1H3/t14-,15-,16-/m1/s1
InChIKeyIVABNEZAKYDYOG-BZUAXINKSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 75428270
1-[[(6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 75513205
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol
CID 78927319
3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-3-ol
CID 81334089
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbutan-2-ol
CID 81345601
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2,4-dimethylpentan-2-ol
CID 83065388
(2R)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 97322712
(2S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 97322713
(2R)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 97322714
(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 97322715
trans-(1S,2R)-1-[[[(1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 97788973
cis-(1R,2R)-1-[[[(1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 97788975

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol?
The IUPAC name of cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol (CID 97323296) is cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol.
What is the SMILES notation for cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol?
The canonical SMILES for cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol is CCS[C@@H]1CC[C@@]1(O)CN[C@@H]1CCc2ccccc21.
What is the InChIKey of cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol?
The InChIKey is IVABNEZAKYDYOG-BZUAXINKSA-N. The full InChI is InChI=1S/C16H23NOS/c1-2-19-15-9-10-16(15,18)11-17-14-8-7-12-5-3-4-6-13(12)14/h3-6,14-15,17-18H,2,7-11H2,1H3/t14-,15-,16-/m1/s1.
What are the key properties of cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol?
cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol has a molecular weight of 277.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol is sourced from PubChem (CID 97323296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).