(2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one

C15H12ClNOS — CID 15956368

IUPAC(2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCc1ccsc1[C@H]1C[C@]12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C15H12ClNOS/c1-8-4-5-19-13(8)11-7-15(11)10-6-9(16)2-3-12(10)17-14(15)18/h2-6,11H,7H2,1H3,(H,17,18)/t11-,15-/m1/s1
InChIKeyXQHGQOSHRWDOCE-IAQYHMDHSA-N
MW289.79 g/mol
LogP4.09
Rot. Bonds1

About (2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956368) has the molecular formula C15H12ClNOS and a molecular weight of 289.79 g/mol. Its IUPAC name is (2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956368
Molecular FormulaC15H12ClNOS
Molecular Weight289.79 g/mol
Exact Mass289.03
IUPAC Name(2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCc1ccsc1[C@H]1C[C@]12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C15H12ClNOS/c1-8-4-5-19-13(8)11-7-15(11)10-6-9(16)2-3-12(10)17-14(15)18/h2-6,11H,7H2,1H3,(H,17,18)/t11-,15-/m1/s1
InChIKeyXQHGQOSHRWDOCE-IAQYHMDHSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956368) is (2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is Cc1ccsc1[C@H]1C[C@]12C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of (2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is XQHGQOSHRWDOCE-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H12ClNOS/c1-8-4-5-19-13(8)11-7-15(11)10-6-9(16)2-3-12(10)17-14(15)18/h2-6,11H,7H2,1H3,(H,17,18)/t11-,15-/m1/s1.
What are the key properties of (2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 289.79 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).