8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol

C32H34N2O3S — CID 143084999

IUPAC8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol
SMILESCN(C)Sc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)c1c-2ccc2cc(O)ccc12
InChIInChI=1S/C32H34N2O3S/c1-33(2)38-26-12-15-28-29-13-8-23-20-24(35)9-14-27(23)31(29)32(37-30(28)21-26)22-6-10-25(11-7-22)36-19-18-34-16-4-3-5-17-34/h6-15,20-21,32,35H,3-5,16-19H2,1-2H3
InChIKeyQAACOOQLCJYIPP-UHFFFAOYSA-N
MW526.70 g/mol
LogP7.13
Rot. Bonds7

About 8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol

8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol (PubChem CID 143084999) has the molecular formula C32H34N2O3S and a molecular weight of 526.70 g/mol. Its IUPAC name is 8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol.

Molecular Properties

Compound Name8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol
PubChem CID143084999
Molecular FormulaC32H34N2O3S
Molecular Weight526.70 g/mol
Exact Mass526.23
IUPAC Name8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol
SMILESCN(C)Sc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)c1c-2ccc2cc(O)ccc12
InChIInChI=1S/C32H34N2O3S/c1-33(2)38-26-12-15-28-29-13-8-23-20-24(35)9-14-27(23)31(29)32(37-30(28)21-26)22-6-10-25(11-7-22)36-19-18-34-16-4-3-5-17-34/h6-15,20-21,32,35H,3-5,16-19H2,1-2H3
InChIKeyQAACOOQLCJYIPP-UHFFFAOYSA-N
XLogP7.13
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.70
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol with MolForge

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Related Compounds

8-methylsulfanyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol
CID 59804100
8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride
CID 67004744
tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane
CID 19595113
10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol
CID 58961538
4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol
CID 58676726
(2R)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol
CID 58676723
3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
CID 10141600
2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
CID 150942360
(19R)-19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15-heptaen-15-ol
CID 44596575
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965
[(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate
CID 161151245
5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-benzo[c]phenanthridine-2,8-diol
CID 146957059

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol?
The IUPAC name of 8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol (CID 143084999) is 8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol.
What is the SMILES notation for 8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol?
The canonical SMILES for 8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol is CN(C)Sc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)c1c-2ccc2cc(O)ccc12.
What is the InChIKey of 8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol?
The InChIKey is QAACOOQLCJYIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O3S/c1-33(2)38-26-12-15-28-29-13-8-23-20-24(35)9-14-27(23)31(29)32(37-30(28)21-26)22-6-10-25(11-7-22)36-19-18-34-16-4-3-5-17-34/h6-15,20-21,32,35H,3-5,16-19H2,1-2H3.
What are the key properties of 8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol?
8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol has a molecular weight of 526.70 g/mol, XLogP of 7.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol is sourced from PubChem (CID 143084999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).