8-[(2-methoxy-3-pyridinyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane

C16H25N3O3S — CID 97451342

IUPAC8-[(2-methoxy-3-pyridinyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
SMILESCOc1ncccc1CN1CCC2(CCCN2S(C)(=O)=O)CC1
InChIInChI=1S/C16H25N3O3S/c1-22-15-14(5-3-9-17-15)13-18-11-7-16(8-12-18)6-4-10-19(16)23(2,20)21/h3,5,9H,4,6-8,10-13H2,1-2H3
InChIKeySCUSXRHOLPAKEI-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.48
Rot. Bonds4

About 8-[(2-methoxy-3-pyridinyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane

8-[(2-methoxy-3-pyridinyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane (PubChem CID 97451342) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 8-[(2-methoxy-3-pyridinyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(2-methoxy-3-pyridinyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
PubChem CID97451342
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name8-[(2-methoxy-3-pyridinyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
SMILESCOc1ncccc1CN1CCC2(CCCN2S(C)(=O)=O)CC1
InChIInChI=1S/C16H25N3O3S/c1-22-15-14(5-3-9-17-15)13-18-11-7-16(8-12-18)6-4-10-19(16)23(2,20)21/h3,5,9H,4,6-8,10-13H2,1-2H3
InChIKeySCUSXRHOLPAKEI-UHFFFAOYSA-N
XLogP1.48
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-methoxy-3-pyridinyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(2-methoxy-3-pyridinyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane (CID 97451342) is 8-[(2-methoxy-3-pyridinyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(2-methoxy-3-pyridinyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(2-methoxy-3-pyridinyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane is COc1ncccc1CN1CCC2(CCCN2S(C)(=O)=O)CC1.
What is the InChIKey of 8-[(2-methoxy-3-pyridinyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane?
The InChIKey is SCUSXRHOLPAKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-22-15-14(5-3-9-17-15)13-18-11-7-16(8-12-18)6-4-10-19(16)23(2,20)21/h3,5,9H,4,6-8,10-13H2,1-2H3.
What are the key properties of 8-[(2-methoxy-3-pyridinyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane?
8-[(2-methoxy-3-pyridinyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane has a molecular weight of 339.46 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methoxy-3-pyridinyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97451342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).