(2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol

C16H19NO3S2 — CID 97107782

IUPAC(2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol
SMILESO=S(=O)(C[C@H](O)CN[C@@H]1CCc2ccccc21)c1cccs1
InChIInChI=1S/C16H19NO3S2/c18-13(11-22(19,20)16-6-3-9-21-16)10-17-15-8-7-12-4-1-2-5-14(12)15/h1-6,9,13,15,17-18H,7-8,10-11H2/t13-,15-/m1/s1
InChIKeyLHYVAQUYCCDCMP-UKRRQHHQSA-N
MW337.47 g/mol
LogP2.16
Rot. Bonds6

About (2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol

(2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol (PubChem CID 97107782) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is (2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol
PubChem CID97107782
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC Name(2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol
SMILESO=S(=O)(C[C@H](O)CN[C@@H]1CCc2ccccc21)c1cccs1
InChIInChI=1S/C16H19NO3S2/c18-13(11-22(19,20)16-6-3-9-21-16)10-17-15-8-7-12-4-1-2-5-14(12)15/h1-6,9,13,15,17-18H,7-8,10-11H2/t13-,15-/m1/s1
InChIKeyLHYVAQUYCCDCMP-UKRRQHHQSA-N
XLogP2.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol with MolForge

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Related Compounds

2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propane-1-sulfonic acid
CID 58931844
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CID 129446255
1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-ylamino)propan-2-ol
CID 103157324
(2S)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoropropane-1-sulfonic acid
CID 58691843
(2S)-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoropropane-1-sulfonic acid
CID 58691893
1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729065
2-(2,3-dihydro-1H-inden-1-ylamino)-1-phenylethanol
CID 43394134
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
CID 43652106
N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64645604
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide
CID 43652107
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60710571

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol?
The IUPAC name of (2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol (CID 97107782) is (2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol.
What is the SMILES notation for (2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol?
The canonical SMILES for (2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol is O=S(=O)(C[C@H](O)CN[C@@H]1CCc2ccccc21)c1cccs1.
What is the InChIKey of (2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol?
The InChIKey is LHYVAQUYCCDCMP-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H19NO3S2/c18-13(11-22(19,20)16-6-3-9-21-16)10-17-15-8-7-12-4-1-2-5-14(12)15/h1-6,9,13,15,17-18H,7-8,10-11H2/t13-,15-/m1/s1.
What are the key properties of (2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol?
(2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol has a molecular weight of 337.47 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-3-thiophen-2-ylsulfonylpropan-2-ol is sourced from PubChem (CID 97107782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).