(2S,3R)-1-methyl-2-propan-2-yl-3-thiophen-2-yl-2,3-dihydroindole

C16H19NS — CID 102368959

IUPAC(2S,3R)-1-methyl-2-propan-2-yl-3-thiophen-2-yl-2,3-dihydroindole
SMILESCC(C)[C@H]1[C@H](c2cccs2)c2ccccc2N1C
InChIInChI=1S/C16H19NS/c1-11(2)16-15(14-9-6-10-18-14)12-7-4-5-8-13(12)17(16)3/h4-11,15-16H,1-3H3/t15-,16-/m0/s1
InChIKeyLJNNSSQUPDSCPQ-HOTGVXAUSA-N
MW257.40 g/mol
LogP4.35
Rot. Bonds2

About (2S,3R)-1-methyl-2-propan-2-yl-3-thiophen-2-yl-2,3-dihydroindole

(2S,3R)-1-methyl-2-propan-2-yl-3-thiophen-2-yl-2,3-dihydroindole (PubChem CID 102368959) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is (2S,3R)-1-methyl-2-propan-2-yl-3-thiophen-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name(2S,3R)-1-methyl-2-propan-2-yl-3-thiophen-2-yl-2,3-dihydroindole
PubChem CID102368959
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name(2S,3R)-1-methyl-2-propan-2-yl-3-thiophen-2-yl-2,3-dihydroindole
SMILESCC(C)[C@H]1[C@H](c2cccs2)c2ccccc2N1C
InChIInChI=1S/C16H19NS/c1-11(2)16-15(14-9-6-10-18-14)12-7-4-5-8-13(12)17(16)3/h4-11,15-16H,1-3H3/t15-,16-/m0/s1
InChIKeyLJNNSSQUPDSCPQ-HOTGVXAUSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-methyl-2-propan-2-yl-3-thiophen-2-yl-2,3-dihydroindole?
The IUPAC name of (2S,3R)-1-methyl-2-propan-2-yl-3-thiophen-2-yl-2,3-dihydroindole (CID 102368959) is (2S,3R)-1-methyl-2-propan-2-yl-3-thiophen-2-yl-2,3-dihydroindole.
What is the SMILES notation for (2S,3R)-1-methyl-2-propan-2-yl-3-thiophen-2-yl-2,3-dihydroindole?
The canonical SMILES for (2S,3R)-1-methyl-2-propan-2-yl-3-thiophen-2-yl-2,3-dihydroindole is CC(C)[C@H]1[C@H](c2cccs2)c2ccccc2N1C.
What is the InChIKey of (2S,3R)-1-methyl-2-propan-2-yl-3-thiophen-2-yl-2,3-dihydroindole?
The InChIKey is LJNNSSQUPDSCPQ-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H19NS/c1-11(2)16-15(14-9-6-10-18-14)12-7-4-5-8-13(12)17(16)3/h4-11,15-16H,1-3H3/t15-,16-/m0/s1.
What are the key properties of (2S,3R)-1-methyl-2-propan-2-yl-3-thiophen-2-yl-2,3-dihydroindole?
(2S,3R)-1-methyl-2-propan-2-yl-3-thiophen-2-yl-2,3-dihydroindole has a molecular weight of 257.40 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-methyl-2-propan-2-yl-3-thiophen-2-yl-2,3-dihydroindole is sourced from PubChem (CID 102368959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).