5-[(2-methoxyphenyl)sulfanylamino]-7-(morpholin-3-ylmethoxy)spiro[1H-indole-3,1'-cyclobutane]-2-one

C23H27N3O4S — CID 145209399

IUPAC5-[(2-methoxyphenyl)sulfanylamino]-7-(morpholin-3-ylmethoxy)spiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESCOc1ccccc1SNc1cc(OCC2COCCN2)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C23H27N3O4S/c1-28-18-5-2-3-6-20(18)31-26-15-11-17-21(25-22(27)23(17)7-4-8-23)19(12-15)30-14-16-13-29-10-9-24-16/h2-3,5-6,11-12,16,24,26H,4,7-10,13-14H2,1H3,(H,25,27)
InChIKeyFJCAPOUOCYQKRP-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.56
Rot. Bonds7

About 5-[(2-methoxyphenyl)sulfanylamino]-7-(morpholin-3-ylmethoxy)spiro[1H-indole-3,1'-cyclobutane]-2-one

5-[(2-methoxyphenyl)sulfanylamino]-7-(morpholin-3-ylmethoxy)spiro[1H-indole-3,1'-cyclobutane]-2-one (PubChem CID 145209399) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)sulfanylamino]-7-(morpholin-3-ylmethoxy)spiro[1H-indole-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)sulfanylamino]-7-(morpholin-3-ylmethoxy)spiro[1H-indole-3,1'-cyclobutane]-2-one
PubChem CID145209399
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name5-[(2-methoxyphenyl)sulfanylamino]-7-(morpholin-3-ylmethoxy)spiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESCOc1ccccc1SNc1cc(OCC2COCCN2)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C23H27N3O4S/c1-28-18-5-2-3-6-20(18)31-26-15-11-17-21(25-22(27)23(17)7-4-8-23)19(12-15)30-14-16-13-29-10-9-24-16/h2-3,5-6,11-12,16,24,26H,4,7-10,13-14H2,1H3,(H,25,27)
InChIKeyFJCAPOUOCYQKRP-UHFFFAOYSA-N
XLogP3.56
TPSA80.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[(3S)-morpholin-3-yl]methyl]aniline
CID 99962582
1-(2-methoxyphenyl)-2-morpholin-3-ylethanol
CID 81466986
N-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238972
2-methoxy-N-[7-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl]benzenesulfonamide
CID 135136273
N-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide
CID 135184783
3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine
CID 117034352
N-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide
CID 107467862
1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone
CID 116919891
methyl 5-(methylamino)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxylate
CID 145209499
3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline
CID 115237844
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541
2-methoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide
CID 110405589

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)sulfanylamino]-7-(morpholin-3-ylmethoxy)spiro[1H-indole-3,1'-cyclobutane]-2-one?
The IUPAC name of 5-[(2-methoxyphenyl)sulfanylamino]-7-(morpholin-3-ylmethoxy)spiro[1H-indole-3,1'-cyclobutane]-2-one (CID 145209399) is 5-[(2-methoxyphenyl)sulfanylamino]-7-(morpholin-3-ylmethoxy)spiro[1H-indole-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 5-[(2-methoxyphenyl)sulfanylamino]-7-(morpholin-3-ylmethoxy)spiro[1H-indole-3,1'-cyclobutane]-2-one?
The canonical SMILES for 5-[(2-methoxyphenyl)sulfanylamino]-7-(morpholin-3-ylmethoxy)spiro[1H-indole-3,1'-cyclobutane]-2-one is COc1ccccc1SNc1cc(OCC2COCCN2)c2c(c1)C1(CCC1)C(=O)N2.
What is the InChIKey of 5-[(2-methoxyphenyl)sulfanylamino]-7-(morpholin-3-ylmethoxy)spiro[1H-indole-3,1'-cyclobutane]-2-one?
The InChIKey is FJCAPOUOCYQKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-28-18-5-2-3-6-20(18)31-26-15-11-17-21(25-22(27)23(17)7-4-8-23)19(12-15)30-14-16-13-29-10-9-24-16/h2-3,5-6,11-12,16,24,26H,4,7-10,13-14H2,1H3,(H,25,27).
What are the key properties of 5-[(2-methoxyphenyl)sulfanylamino]-7-(morpholin-3-ylmethoxy)spiro[1H-indole-3,1'-cyclobutane]-2-one?
5-[(2-methoxyphenyl)sulfanylamino]-7-(morpholin-3-ylmethoxy)spiro[1H-indole-3,1'-cyclobutane]-2-one has a molecular weight of 441.55 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)sulfanylamino]-7-(morpholin-3-ylmethoxy)spiro[1H-indole-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 145209399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).