1-[9-[(5-methoxy-3-pyridinyl)sulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine

C17H27N3O4S — CID 126819780

IUPAC1-[9-[(5-methoxy-3-pyridinyl)sulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine
SMILESCOc1cncc(S(=O)(=O)N2CC3(CCCC3)OCC2CN(C)C)c1
InChIInChI=1S/C17H27N3O4S/c1-19(2)11-14-12-24-17(6-4-5-7-17)13-20(14)25(21,22)16-8-15(23-3)9-18-10-16/h8-10,14H,4-7,11-13H2,1-3H3
InChIKeyAPBSWFLKEKLGDP-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.35
Rot. Bonds5

About 1-[9-[(5-methoxy-3-pyridinyl)sulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine

1-[9-[(5-methoxy-3-pyridinyl)sulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine (PubChem CID 126819780) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-[9-[(5-methoxy-3-pyridinyl)sulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[9-[(5-methoxy-3-pyridinyl)sulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine
PubChem CID126819780
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name1-[9-[(5-methoxy-3-pyridinyl)sulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine
SMILESCOc1cncc(S(=O)(=O)N2CC3(CCCC3)OCC2CN(C)C)c1
InChIInChI=1S/C17H27N3O4S/c1-19(2)11-14-12-24-17(6-4-5-7-17)13-20(14)25(21,22)16-8-15(23-3)9-18-10-16/h8-10,14H,4-7,11-13H2,1-3H3
InChIKeyAPBSWFLKEKLGDP-UHFFFAOYSA-N
XLogP1.35
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[9-[(5-methoxy-3-pyridinyl)sulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[9-[(5-methoxy-3-pyridinyl)sulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine (CID 126819780) is 1-[9-[(5-methoxy-3-pyridinyl)sulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[9-[(5-methoxy-3-pyridinyl)sulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[9-[(5-methoxy-3-pyridinyl)sulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine is COc1cncc(S(=O)(=O)N2CC3(CCCC3)OCC2CN(C)C)c1.
What is the InChIKey of 1-[9-[(5-methoxy-3-pyridinyl)sulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine?
The InChIKey is APBSWFLKEKLGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-19(2)11-14-12-24-17(6-4-5-7-17)13-20(14)25(21,22)16-8-15(23-3)9-18-10-16/h8-10,14H,4-7,11-13H2,1-3H3.
What are the key properties of 1-[9-[(5-methoxy-3-pyridinyl)sulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine?
1-[9-[(5-methoxy-3-pyridinyl)sulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine has a molecular weight of 369.49 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-[(5-methoxy-3-pyridinyl)sulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 126819780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).