5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-morpholin-4-ylpyridin-4-amine;5-(1,1-dioxothian-4-yl)-2-morpholin-4-ylpyridin-4-amine

C28H40N6O6S2 — CID 161188002

IUPAC5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-morpholin-4-ylpyridin-4-amine;5-(1,1-dioxothian-4-yl)-2-morpholin-4-ylpyridin-4-amine
SMILESNc1cc(N2CCOCC2)ncc1C1=CCS(=O)(=O)CC1.Nc1cc(N2CCOCC2)ncc1C1CCS(=O)(=O)CC1
InChIInChI=1S/C14H21N3O3S.C14H19N3O3S/c2*15-13-9-14(17-3-5-20-6-4-17)16-10-12(13)11-1-7-21(18,19)8-2-11/h9-11H,1-8H2,(H2,15,16);1,9-10H,2-8H2,(H2,15,16)
InChIKeyUTINJEMAECGCLV-UHFFFAOYSA-N
MW620.80 g/mol
LogP1.49
Rot. Bonds4

About 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-morpholin-4-ylpyridin-4-amine;5-(1,1-dioxothian-4-yl)-2-morpholin-4-ylpyridin-4-amine

5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-morpholin-4-ylpyridin-4-amine;5-(1,1-dioxothian-4-yl)-2-morpholin-4-ylpyridin-4-amine (PubChem CID 161188002) has the molecular formula C28H40N6O6S2 and a molecular weight of 620.80 g/mol. Its IUPAC name is 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-morpholin-4-ylpyridin-4-amine;5-(1,1-dioxothian-4-yl)-2-morpholin-4-ylpyridin-4-amine.

Molecular Properties

Compound Name5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-morpholin-4-ylpyridin-4-amine;5-(1,1-dioxothian-4-yl)-2-morpholin-4-ylpyridin-4-amine
PubChem CID161188002
Molecular FormulaC28H40N6O6S2
Molecular Weight620.80 g/mol
Exact Mass620.25
IUPAC Name5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-morpholin-4-ylpyridin-4-amine;5-(1,1-dioxothian-4-yl)-2-morpholin-4-ylpyridin-4-amine
SMILESNc1cc(N2CCOCC2)ncc1C1=CCS(=O)(=O)CC1.Nc1cc(N2CCOCC2)ncc1C1CCS(=O)(=O)CC1
InChIInChI=1S/C14H21N3O3S.C14H19N3O3S/c2*15-13-9-14(17-3-5-20-6-4-17)16-10-12(13)11-1-7-21(18,19)8-2-11/h9-11H,1-8H2,(H2,15,16);1,9-10H,2-8H2,(H2,15,16)
InChIKeyUTINJEMAECGCLV-UHFFFAOYSA-N
XLogP1.49
TPSA171.04 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.80
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-morpholin-4-ylpyridin-4-amine;5-(1,1-dioxothian-4-yl)-2-morpholin-4-ylpyridin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(8-methyl-7,8-dihydroisoquinolin-3-yl)morpholine
CID 163833292
4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile
CID 66632477
4-[4-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]morpholine
CID 102543259
5-chloro-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridin-4-amine
CID 139405521
5-bromo-2-morpholin-4-ylpyridin-4-amine;2-morpholin-4-yl-5-pyrimidin-5-ylpyridin-4-amine;pyrimidin-5-ylboronic acid
CID 158800785
5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine
CID 59198406
1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 53498070
6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine
CID 123312240
2-(1,1-dioxothian-4-yl)aniline
CID 105483189
4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine
CID 124500065
8-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121412657
(5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol
CID 19437119

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-morpholin-4-ylpyridin-4-amine;5-(1,1-dioxothian-4-yl)-2-morpholin-4-ylpyridin-4-amine?
The IUPAC name of 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-morpholin-4-ylpyridin-4-amine;5-(1,1-dioxothian-4-yl)-2-morpholin-4-ylpyridin-4-amine (CID 161188002) is 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-morpholin-4-ylpyridin-4-amine;5-(1,1-dioxothian-4-yl)-2-morpholin-4-ylpyridin-4-amine.
What is the SMILES notation for 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-morpholin-4-ylpyridin-4-amine;5-(1,1-dioxothian-4-yl)-2-morpholin-4-ylpyridin-4-amine?
The canonical SMILES for 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-morpholin-4-ylpyridin-4-amine;5-(1,1-dioxothian-4-yl)-2-morpholin-4-ylpyridin-4-amine is Nc1cc(N2CCOCC2)ncc1C1=CCS(=O)(=O)CC1.Nc1cc(N2CCOCC2)ncc1C1CCS(=O)(=O)CC1.
What is the InChIKey of 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-morpholin-4-ylpyridin-4-amine;5-(1,1-dioxothian-4-yl)-2-morpholin-4-ylpyridin-4-amine?
The InChIKey is UTINJEMAECGCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.C14H19N3O3S/c2*15-13-9-14(17-3-5-20-6-4-17)16-10-12(13)11-1-7-21(18,19)8-2-11/h9-11H,1-8H2,(H2,15,16);1,9-10H,2-8H2,(H2,15,16).
What are the key properties of 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-morpholin-4-ylpyridin-4-amine;5-(1,1-dioxothian-4-yl)-2-morpholin-4-ylpyridin-4-amine?
5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-morpholin-4-ylpyridin-4-amine;5-(1,1-dioxothian-4-yl)-2-morpholin-4-ylpyridin-4-amine has a molecular weight of 620.80 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-morpholin-4-ylpyridin-4-amine;5-(1,1-dioxothian-4-yl)-2-morpholin-4-ylpyridin-4-amine is sourced from PubChem (CID 161188002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).