methane;5-methyl-8-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole 2,2-dioxide

C24H30N2O3S — CID 161226680

IUPACmethane;5-methyl-8-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole 2,2-dioxide
SMILESC.Cn1c2c(c3cc(Cc4ccc(N5CCOCC5)cc4)ccc31)CS(=O)(=O)CC2
InChIInChI=1S/C23H26N2O3S.CH4/c1-24-22-7-4-18(15-20(22)21-16-29(26,27)13-8-23(21)24)14-17-2-5-19(6-3-17)25-9-11-28-12-10-25;/h2-7,15H,8-14,16H2,1H3;1H4
InChIKeyUYFIGDXQJKTLHH-UHFFFAOYSA-N
MW426.58 g/mol
LogP3.71
Rot. Bonds3

About methane;5-methyl-8-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole 2,2-dioxide

methane;5-methyl-8-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole 2,2-dioxide (PubChem CID 161226680) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is methane;5-methyl-8-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole 2,2-dioxide.

Molecular Properties

Compound Namemethane;5-methyl-8-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole 2,2-dioxide
PubChem CID161226680
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC Namemethane;5-methyl-8-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole 2,2-dioxide
SMILESC.Cn1c2c(c3cc(Cc4ccc(N5CCOCC5)cc4)ccc31)CS(=O)(=O)CC2
InChIInChI=1S/C23H26N2O3S.CH4/c1-24-22-7-4-18(15-20(22)21-16-29(26,27)13-8-23(21)24)14-17-2-5-19(6-3-17)25-9-11-28-12-10-25;/h2-7,15H,8-14,16H2,1H3;1H4
InChIKeyUYFIGDXQJKTLHH-UHFFFAOYSA-N
XLogP3.71
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-8-amine
CID 58512415
5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-8-amine
CID 58512442
4-(4-benzylphenyl)morpholine
CID 11514364
4-(4-ethylphenyl)morpholine
CID 20576442
5-methyl-2,2-dioxo-N-[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]-3,4-dihydro-1H-thiopyrano[4,3-b]indol-8-amine
CID 162589705
(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine
CID 82048401
2-(4-morpholin-4-ylphenyl)ethanamine
CID 23009596
2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid
CID 82240026
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430
(4-morpholin-4-ylphenyl)methanol
CID 2776456
2-[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)phenyl]ethanamine
CID 170868542
[6-(morpholin-4-ylmethyl)-1-(4-morpholin-4-ylphenyl)-4-oxoquinolin-3-yl] propanoate
CID 174452435

Frequently Asked Questions

What is the IUPAC name of methane;5-methyl-8-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole 2,2-dioxide?
The IUPAC name of methane;5-methyl-8-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole 2,2-dioxide (CID 161226680) is methane;5-methyl-8-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole 2,2-dioxide.
What is the SMILES notation for methane;5-methyl-8-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole 2,2-dioxide?
The canonical SMILES for methane;5-methyl-8-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole 2,2-dioxide is C.Cn1c2c(c3cc(Cc4ccc(N5CCOCC5)cc4)ccc31)CS(=O)(=O)CC2.
What is the InChIKey of methane;5-methyl-8-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole 2,2-dioxide?
The InChIKey is UYFIGDXQJKTLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S.CH4/c1-24-22-7-4-18(15-20(22)21-16-29(26,27)13-8-23(21)24)14-17-2-5-19(6-3-17)25-9-11-28-12-10-25;/h2-7,15H,8-14,16H2,1H3;1H4.
What are the key properties of methane;5-methyl-8-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole 2,2-dioxide?
methane;5-methyl-8-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole 2,2-dioxide has a molecular weight of 426.58 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methyl-8-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-1H-thiopyrano[4,3-b]indole 2,2-dioxide is sourced from PubChem (CID 161226680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).