10-cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

C16H23N3O3S — CID 118744270

IUPAC10-cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESO=S(=O)(C1CC1)N1CCOCC2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C16H23N3O3S/c20-23(21,14-4-5-14)19-9-10-22-13-16(12-19)6-8-18(11-16)15-3-1-2-7-17-15/h1-3,7,14H,4-6,8-13H2
InChIKeyVIOLYWYLKNJQGS-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.10
Rot. Bonds3

About 10-cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

10-cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118744270) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 10-cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118744270
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name10-cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESO=S(=O)(C1CC1)N1CCOCC2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C16H23N3O3S/c20-23(21,14-4-5-14)19-9-10-22-13-16(12-19)6-8-18(11-16)15-3-1-2-7-17-15/h1-3,7,14H,4-6,8-13H2
InChIKeyVIOLYWYLKNJQGS-UHFFFAOYSA-N
XLogP1.10
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118744270) is 10-cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is O=S(=O)(C1CC1)N1CCOCC2(CCN(c3ccccn3)C2)C1.
What is the InChIKey of 10-cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is VIOLYWYLKNJQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-23(21,14-4-5-14)19-9-10-22-13-16(12-19)6-8-18(11-16)15-3-1-2-7-17-15/h1-3,7,14H,4-6,8-13H2.
What are the key properties of 10-cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
10-cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 337.45 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118744270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).