2-cyclobutyl-4-(methoxymethyl)-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane

C19H29N3O3S — CID 91922224

IUPAC2-cyclobutyl-4-(methoxymethyl)-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C2CCC2)CC12CCN(S(=O)(=O)c1cccnc1)CC2
InChIInChI=1S/C19H29N3O3S/c1-25-14-16-13-21(17-4-2-5-17)15-19(16)7-10-22(11-8-19)26(23,24)18-6-3-9-20-12-18/h3,6,9,12,16-17H,2,4-5,7-8,10-11,13-15H2,1H3
InChIKeyGXOPGSSDQQUVGX-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.98
Rot. Bonds5

About 2-cyclobutyl-4-(methoxymethyl)-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane

2-cyclobutyl-4-(methoxymethyl)-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 91922224) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-cyclobutyl-4-(methoxymethyl)-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-cyclobutyl-4-(methoxymethyl)-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID91922224
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name2-cyclobutyl-4-(methoxymethyl)-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C2CCC2)CC12CCN(S(=O)(=O)c1cccnc1)CC2
InChIInChI=1S/C19H29N3O3S/c1-25-14-16-13-21(17-4-2-5-17)15-19(16)7-10-22(11-8-19)26(23,24)18-6-3-9-20-12-18/h3,6,9,12,16-17H,2,4-5,7-8,10-11,13-15H2,1H3
InChIKeyGXOPGSSDQQUVGX-UHFFFAOYSA-N
XLogP1.98
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-(methoxymethyl)-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-cyclobutyl-4-(methoxymethyl)-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane (CID 91922224) is 2-cyclobutyl-4-(methoxymethyl)-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-cyclobutyl-4-(methoxymethyl)-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-cyclobutyl-4-(methoxymethyl)-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane is COCC1CN(C2CCC2)CC12CCN(S(=O)(=O)c1cccnc1)CC2.
What is the InChIKey of 2-cyclobutyl-4-(methoxymethyl)-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is GXOPGSSDQQUVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-25-14-16-13-21(17-4-2-5-17)15-19(16)7-10-22(11-8-19)26(23,24)18-6-3-9-20-12-18/h3,6,9,12,16-17H,2,4-5,7-8,10-11,13-15H2,1H3.
What are the key properties of 2-cyclobutyl-4-(methoxymethyl)-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane?
2-cyclobutyl-4-(methoxymethyl)-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 379.53 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-(methoxymethyl)-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).