N-(2-methoxyethyl)-8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-N-methyl-8-azaspiro[4.5]decan-3-amine

C20H33N3O4S — CID 169144042

IUPACN-(2-methoxyethyl)-8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-N-methyl-8-azaspiro[4.5]decan-3-amine
SMILESCOCCN(C)C1CCC2(CCN(S(=O)(=O)c3cc(C)cnc3OC)CC2)C1
InChIInChI=1S/C20H33N3O4S/c1-16-13-18(19(27-4)21-15-16)28(24,25)23-9-7-20(8-10-23)6-5-17(14-20)22(2)11-12-26-3/h13,15,17H,5-12,14H2,1-4H3
InChIKeyFBZHULSXHWTARF-UHFFFAOYSA-N
MW411.57 g/mol
LogP2.30
Rot. Bonds7

About N-(2-methoxyethyl)-8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-N-methyl-8-azaspiro[4.5]decan-3-amine

N-(2-methoxyethyl)-8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-N-methyl-8-azaspiro[4.5]decan-3-amine (PubChem CID 169144042) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-(2-methoxyethyl)-8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-N-methyl-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-N-methyl-8-azaspiro[4.5]decan-3-amine
PubChem CID169144042
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC NameN-(2-methoxyethyl)-8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-N-methyl-8-azaspiro[4.5]decan-3-amine
SMILESCOCCN(C)C1CCC2(CCN(S(=O)(=O)c3cc(C)cnc3OC)CC2)C1
InChIInChI=1S/C20H33N3O4S/c1-16-13-18(19(27-4)21-15-16)28(24,25)23-9-7-20(8-10-23)6-5-17(14-20)22(2)11-12-26-3/h13,15,17H,5-12,14H2,1-4H3
InChIKeyFBZHULSXHWTARF-UHFFFAOYSA-N
XLogP2.30
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-N-methyl-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N-(2-methoxyethyl)-8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-N-methyl-8-azaspiro[4.5]decan-3-amine (CID 169144042) is N-(2-methoxyethyl)-8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-N-methyl-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-N-methyl-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-N-methyl-8-azaspiro[4.5]decan-3-amine is COCCN(C)C1CCC2(CCN(S(=O)(=O)c3cc(C)cnc3OC)CC2)C1.
What is the InChIKey of N-(2-methoxyethyl)-8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-N-methyl-8-azaspiro[4.5]decan-3-amine?
The InChIKey is FBZHULSXHWTARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-16-13-18(19(27-4)21-15-16)28(24,25)23-9-7-20(8-10-23)6-5-17(14-20)22(2)11-12-26-3/h13,15,17H,5-12,14H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-N-methyl-8-azaspiro[4.5]decan-3-amine?
N-(2-methoxyethyl)-8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-N-methyl-8-azaspiro[4.5]decan-3-amine has a molecular weight of 411.57 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-N-methyl-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 169144042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).