(3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one

C14H13NOS — CID 26367509

IUPAC(3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccsc1C[C@@H]1C(=O)Nc2ccccc21
InChIInChI=1S/C14H13NOS/c1-9-6-7-17-13(9)8-11-10-4-2-3-5-12(10)15-14(11)16/h2-7,11H,8H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyNKPSCNRVZRPVHT-NSHDSACASA-N
MW243.33 g/mol
LogP3.33
Rot. Bonds2

About (3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one

(3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 26367509) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is (3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID26367509
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name(3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccsc1C[C@@H]1C(=O)Nc2ccccc21
InChIInChI=1S/C14H13NOS/c1-9-6-7-17-13(9)8-11-10-4-2-3-5-12(10)15-14(11)16/h2-7,11H,8H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyNKPSCNRVZRPVHT-NSHDSACASA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one (CID 26367509) is (3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one is Cc1ccsc1C[C@@H]1C(=O)Nc2ccccc21.
What is the InChIKey of (3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is NKPSCNRVZRPVHT-NSHDSACASA-N. The full InChI is InChI=1S/C14H13NOS/c1-9-6-7-17-13(9)8-11-10-4-2-3-5-12(10)15-14(11)16/h2-7,11H,8H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
(3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 243.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 26367509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).