(1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C25H22N2O6S — CID 40871948

IUPAC(1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C25H22N2O6S/c1-2-12-26-18-9-5-4-8-17(18)25(24(26)30)20-21(28)16-7-3-6-10-19(16)33-22(20)23(29)27(25)15-11-13-34(31,32)14-15/h3-10,15H,2,11-14H2,1H3/t15-,25+/m1/s1
InChIKeyXHMTUXUAVQGRIQ-BZQUYTCOSA-N
MW478.53 g/mol
LogP2.44
Rot. Bonds3

About (1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

(1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 40871948) has the molecular formula C25H22N2O6S and a molecular weight of 478.53 g/mol. Its IUPAC name is (1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name(1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID40871948
Molecular FormulaC25H22N2O6S
Molecular Weight478.53 g/mol
Exact Mass478.12
IUPAC Name(1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C25H22N2O6S/c1-2-12-26-18-9-5-4-8-17(18)25(24(26)30)20-21(28)16-7-3-6-10-19(16)33-22(20)23(29)27(25)15-11-13-34(31,32)14-15/h3-10,15H,2,11-14H2,1H3/t15-,25+/m1/s1
InChIKeyXHMTUXUAVQGRIQ-BZQUYTCOSA-N
XLogP2.44
TPSA104.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione with MolForge

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Related Compounds

(1R)-1'-butyl-2-[(3S)-1,1-dioxothiolan-3-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 40871983
(1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 40849899
7-methyl-1',2-dipropylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868751
(1R)-1'-butyl-2-(3-ethoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 40871077
(1R)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 40871817
2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 4208981
(1R)-2-(3-ethoxypropyl)-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 40871618
7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 3441762
2-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867311
(1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 41068047
7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867761
(1R)-7-fluoro-2-[[(2R)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 41068050

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of (1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 40871948) is (1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for (1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for (1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of (1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is XHMTUXUAVQGRIQ-BZQUYTCOSA-N. The full InChI is InChI=1S/C25H22N2O6S/c1-2-12-26-18-9-5-4-8-17(18)25(24(26)30)20-21(28)16-7-3-6-10-19(16)33-22(20)23(29)27(25)15-11-13-34(31,32)14-15/h3-10,15H,2,11-14H2,1H3/t15-,25+/m1/s1.
What are the key properties of (1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
(1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 478.53 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 40871948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).