(3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

C18H21N3O5S — CID 95104210

IUPAC(3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3c(C)noc3C)C1)C(=O)N2C
InChIInChI=1S/C18H21N3O5S/c1-11-16(12(2)26-19-11)27(23,24)21-8-7-18(10-21)14-9-13(25-4)5-6-15(14)20(3)17(18)22/h5-6,9H,7-8,10H2,1-4H3/t18-/m1/s1
InChIKeyHHANCALKVPTAOU-GOSISDBHSA-N
MW391.45 g/mol
LogP1.61
Rot. Bonds3

About (3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

(3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 95104210) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is (3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID95104210
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name(3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3c(C)noc3C)C1)C(=O)N2C
InChIInChI=1S/C18H21N3O5S/c1-11-16(12(2)26-19-11)27(23,24)21-8-7-18(10-21)14-9-13(25-4)5-6-15(14)20(3)17(18)22/h5-6,9H,7-8,10H2,1-4H3/t18-/m1/s1
InChIKeyHHANCALKVPTAOU-GOSISDBHSA-N
XLogP1.61
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-1-methyl-1'-(3-methylphenyl)sulfonylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177296
(3R)-1'-(4-chlorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104183
N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide
CID 95104191
3-[(3S)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylbenzonitrile
CID 95104222
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176973
8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42065050
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72861309
(3S)-1'-(3,5-dimethoxybenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104144
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 17478178
1'-(cyclopentanecarbonyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177264
(3S)-5-methoxy-1-methyl-1'-(thiophene-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 95104114
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 3828999

Frequently Asked Questions

What is the IUPAC name of (3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 95104210) is (3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3c(C)noc3C)C1)C(=O)N2C.
What is the InChIKey of (3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HHANCALKVPTAOU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-11-16(12(2)26-19-11)27(23,24)21-8-7-18(10-21)14-9-13(25-4)5-6-15(14)20(3)17(18)22/h5-6,9H,7-8,10H2,1-4H3/t18-/m1/s1.
What are the key properties of (3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
(3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 391.45 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 95104210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).