2-(1-methylcyclopropyl)sulfonyl-3-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane

C14H25NO3S — CID 128778732

IUPAC2-(1-methylcyclopropyl)sulfonyl-3-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane
SMILESCC(C)C1N(S(=O)(=O)C2(C)CC2)CC12CCOCC2
InChIInChI=1S/C14H25NO3S/c1-11(2)12-14(6-8-18-9-7-14)10-15(12)19(16,17)13(3)4-5-13/h11-12H,4-10H2,1-3H3
InChIKeyFUKDKCKZKUOVAP-UHFFFAOYSA-N
MW287.42 g/mol
LogP2.01
Rot. Bonds3

About 2-(1-methylcyclopropyl)sulfonyl-3-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane

2-(1-methylcyclopropyl)sulfonyl-3-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane (PubChem CID 128778732) has the molecular formula C14H25NO3S and a molecular weight of 287.42 g/mol. Its IUPAC name is 2-(1-methylcyclopropyl)sulfonyl-3-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(1-methylcyclopropyl)sulfonyl-3-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane
PubChem CID128778732
Molecular FormulaC14H25NO3S
Molecular Weight287.42 g/mol
Exact Mass287.16
IUPAC Name2-(1-methylcyclopropyl)sulfonyl-3-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane
SMILESCC(C)C1N(S(=O)(=O)C2(C)CC2)CC12CCOCC2
InChIInChI=1S/C14H25NO3S/c1-11(2)12-14(6-8-18-9-7-14)10-15(12)19(16,17)13(3)4-5-13/h11-12H,4-10H2,1-3H3
InChIKeyFUKDKCKZKUOVAP-UHFFFAOYSA-N
XLogP2.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-methylcyclopropyl)sulfonyl-3-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopropyl)sulfonyl-3-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(1-methylcyclopropyl)sulfonyl-3-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane (CID 128778732) is 2-(1-methylcyclopropyl)sulfonyl-3-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(1-methylcyclopropyl)sulfonyl-3-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(1-methylcyclopropyl)sulfonyl-3-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane is CC(C)C1N(S(=O)(=O)C2(C)CC2)CC12CCOCC2.
What is the InChIKey of 2-(1-methylcyclopropyl)sulfonyl-3-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane?
The InChIKey is FUKDKCKZKUOVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-11(2)12-14(6-8-18-9-7-14)10-15(12)19(16,17)13(3)4-5-13/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-(1-methylcyclopropyl)sulfonyl-3-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane?
2-(1-methylcyclopropyl)sulfonyl-3-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane has a molecular weight of 287.42 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopropyl)sulfonyl-3-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 128778732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).