(R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide

C16H21N3O2S — CID 170957742

IUPAC(R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide
SMILESCc1nc(-c2ccc3c(c2)CC[C@H]3N[S@](=O)C(C)(C)C)no1
InChIInChI=1S/C16H21N3O2S/c1-10-17-15(18-21-10)12-5-7-13-11(9-12)6-8-14(13)19-22(20)16(2,3)4/h5,7,9,14,19H,6,8H2,1-4H3/t14-,22-/m1/s1
InChIKeyBMEXYJMYVNIEPS-JLCFBVMHSA-N
MW319.43 g/mol
LogP3.08
Rot. Bonds3

About (R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide

(R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide (PubChem CID 170957742) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide
PubChem CID170957742
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name(R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide
SMILESCc1nc(-c2ccc3c(c2)CC[C@H]3N[S@](=O)C(C)(C)C)no1
InChIInChI=1S/C16H21N3O2S/c1-10-17-15(18-21-10)12-5-7-13-11(9-12)6-8-14(13)19-22(20)16(2,3)4/h5,7,9,14,19H,6,8H2,1-4H3/t14-,22-/m1/s1
InChIKeyBMEXYJMYVNIEPS-JLCFBVMHSA-N
XLogP3.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide (CID 170957742) is (R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide is Cc1nc(-c2ccc3c(c2)CC[C@H]3N[S@](=O)C(C)(C)C)no1.
What is the InChIKey of (R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide?
The InChIKey is BMEXYJMYVNIEPS-JLCFBVMHSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10-17-15(18-21-10)12-5-7-13-11(9-12)6-8-14(13)19-22(20)16(2,3)4/h5,7,9,14,19H,6,8H2,1-4H3/t14-,22-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide has a molecular weight of 319.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide is sourced from PubChem (CID 170957742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).