(2'S,3S)-5-chloro-2'-thiophen-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one

C14H10ClNOS — CID 15956372

IUPAC(2'S,3S)-5-chloro-2'-thiophen-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccsc1
InChIInChI=1S/C14H10ClNOS/c15-9-1-2-12-10(5-9)14(13(17)16-12)6-11(14)8-3-4-18-7-8/h1-5,7,11H,6H2,(H,16,17)/t11-,14-/m1/s1
InChIKeyKLQRAGDMAQTMKP-BXUZGUMPSA-N
MW275.76 g/mol
LogP3.78
Rot. Bonds1

About (2'S,3S)-5-chloro-2'-thiophen-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3S)-5-chloro-2'-thiophen-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956372) has the molecular formula C14H10ClNOS and a molecular weight of 275.76 g/mol. Its IUPAC name is (2'S,3S)-5-chloro-2'-thiophen-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-5-chloro-2'-thiophen-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956372
Molecular FormulaC14H10ClNOS
Molecular Weight275.76 g/mol
Exact Mass275.02
IUPAC Name(2'S,3S)-5-chloro-2'-thiophen-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccsc1
InChIInChI=1S/C14H10ClNOS/c15-9-1-2-12-10(5-9)14(13(17)16-12)6-11(14)8-3-4-18-7-8/h1-5,7,11H,6H2,(H,16,17)/t11-,14-/m1/s1
InChIKeyKLQRAGDMAQTMKP-BXUZGUMPSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 53.78
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'-thiophen-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-5-chloro-2'-thiophen-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956372) is (2'S,3S)-5-chloro-2'-thiophen-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-5-chloro-2'-thiophen-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-5-chloro-2'-thiophen-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccsc1.
What is the InChIKey of (2'S,3S)-5-chloro-2'-thiophen-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is KLQRAGDMAQTMKP-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H10ClNOS/c15-9-1-2-12-10(5-9)14(13(17)16-12)6-11(14)8-3-4-18-7-8/h1-5,7,11H,6H2,(H,16,17)/t11-,14-/m1/s1.
What are the key properties of (2'S,3S)-5-chloro-2'-thiophen-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-5-chloro-2'-thiophen-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 275.76 g/mol, XLogP of 3.78, 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'-thiophen-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).