1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol

C14H21NOS — CID 113261872

IUPAC1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNC1Cc2ccccc2C1
InChIInChI=1S/C14H21NOS/c1-14(16,10-17-2)9-15-13-7-11-5-3-4-6-12(11)8-13/h3-6,13,15-16H,7-10H2,1-2H3
InChIKeyCTMGCAHJHXFEEW-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.86
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol

1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 113261872) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID113261872
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNC1Cc2ccccc2C1
InChIInChI=1S/C14H21NOS/c1-14(16,10-17-2)9-15-13-7-11-5-3-4-6-12(11)8-13/h3-6,13,15-16H,7-10H2,1-2H3
InChIKeyCTMGCAHJHXFEEW-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-N-(2,3-dihydro-1H-inden-2-yl)-4-methoxy-1,1-dioxothiolan-3-amine
CID 164635528
2-[(2,3-dihydro-1H-inden-2-yl)amino]ethan-1-ol
CID 3028277
1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 75428270
1-[[3-(4-Fluorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 75502744
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-2-ol
CID 78927319
(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
(2R)-1-[[3-(4-fluorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 97813261
(2S)-1-[[3-(4-fluorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 97813262
(3R)-3-[[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]thiolan-3-ol
CID 99824907

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol (CID 113261872) is 1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNC1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is CTMGCAHJHXFEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-14(16,10-17-2)9-15-13-7-11-5-3-4-6-12(11)8-13/h3-6,13,15-16H,7-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 251.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 113261872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).