(1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol

C19H23NO3S — CID 99822665

IUPAC(1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1ccc(S(=O)(=O)C[C@H](C)N[C@H]2c3ccccc3C[C@@H]2O)cc1
InChIInChI=1S/C19H23NO3S/c1-13-7-9-16(10-8-13)24(22,23)12-14(2)20-19-17-6-4-3-5-15(17)11-18(19)21/h3-10,14,18-21H,11-12H2,1-2H3/t14-,18-,19-/m0/s1
InChIKeyJPNCHKOZRDIOFV-JVPBZIDWSA-N
MW345.46 g/mol
LogP2.41
Rot. Bonds5

About (1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol

(1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 99822665) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID99822665
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1ccc(S(=O)(=O)C[C@H](C)N[C@H]2c3ccccc3C[C@@H]2O)cc1
InChIInChI=1S/C19H23NO3S/c1-13-7-9-16(10-8-13)24(22,23)12-14(2)20-19-17-6-4-3-5-15(17)11-18(19)21/h3-10,14,18-21H,11-12H2,1-2H3/t14-,18-,19-/m0/s1
InChIKeyJPNCHKOZRDIOFV-JVPBZIDWSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide
CID 103834195
N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine
CID 115903384
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 115969830
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684490
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684497
(5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 99783283
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide
CID 113240016
[(1R,2S)-1-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] (2R,3S)-3-hydroxy-2-methylbutanoate
CID 134930543
3-(4-methylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2467560
1-(ethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 113340144

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol (CID 99822665) is (1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol is Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H]2c3ccccc3C[C@@H]2O)cc1.
What is the InChIKey of (1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is JPNCHKOZRDIOFV-JVPBZIDWSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-13-7-9-16(10-8-13)24(22,23)12-14(2)20-19-17-6-4-3-5-15(17)11-18(19)21/h3-10,14,18-21H,11-12H2,1-2H3/t14-,18-,19-/m0/s1.
What are the key properties of (1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?
(1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 345.46 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 99822665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).