N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide

C13H16F3NOS — CID 89491077

IUPACN-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide
SMILESCC(C)S(=O)N[C@@H]1CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C13H16F3NOS/c1-8(2)19(18)17-12-6-4-9-3-5-10(7-11(9)12)13(14,15)16/h3,5,7-8,12,17H,4,6H2,1-2H3/t12-,19?/m1/s1
InChIKeyDUPSZBJUAABGMH-ISGGMURCSA-N
MW291.34 g/mol
LogP3.35
Rot. Bonds3

About N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide

N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide (PubChem CID 89491077) has the molecular formula C13H16F3NOS and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide
PubChem CID89491077
Molecular FormulaC13H16F3NOS
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC NameN-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide
SMILESCC(C)S(=O)N[C@@H]1CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C13H16F3NOS/c1-8(2)19(18)17-12-6-4-9-3-5-10(7-11(9)12)13(14,15)16/h3,5,7-8,12,17H,4,6H2,1-2H3/t12-,19?/m1/s1
InChIKeyDUPSZBJUAABGMH-ISGGMURCSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide?
The IUPAC name of N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide (CID 89491077) is N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide?
The canonical SMILES for N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide is CC(C)S(=O)N[C@@H]1CCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide?
The InChIKey is DUPSZBJUAABGMH-ISGGMURCSA-N. The full InChI is InChI=1S/C13H16F3NOS/c1-8(2)19(18)17-12-6-4-9-3-5-10(7-11(9)12)13(14,15)16/h3,5,7-8,12,17H,4,6H2,1-2H3/t12-,19?/m1/s1.
What are the key properties of N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide?
N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide has a molecular weight of 291.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide is sourced from PubChem (CID 89491077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).