9-(3-methylpiperidin-1-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane

C14H26N2O3S — CID 71847498

IUPAC9-(3-methylpiperidin-1-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane
SMILESCC1CCCN(S(=O)(=O)N2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C14H26N2O3S/c1-13-5-4-8-15(11-13)20(17,18)16-9-10-19-14(12-16)6-2-3-7-14/h13H,2-12H2,1H3
InChIKeyAGQHSNGOQVBPKV-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.61
Rot. Bonds2

About 9-(3-methylpiperidin-1-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane

9-(3-methylpiperidin-1-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane (PubChem CID 71847498) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 9-(3-methylpiperidin-1-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3-methylpiperidin-1-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane
PubChem CID71847498
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name9-(3-methylpiperidin-1-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane
SMILESCC1CCCN(S(=O)(=O)N2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C14H26N2O3S/c1-13-5-4-8-15(11-13)20(17,18)16-9-10-19-14(12-16)6-2-3-7-14/h13H,2-12H2,1H3
InChIKeyAGQHSNGOQVBPKV-UHFFFAOYSA-N
XLogP1.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3-methylpiperidin-1-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(3-methylpiperidin-1-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane (CID 71847498) is 9-(3-methylpiperidin-1-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(3-methylpiperidin-1-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(3-methylpiperidin-1-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane is CC1CCCN(S(=O)(=O)N2CCOC3(CCCC3)C2)C1.
What is the InChIKey of 9-(3-methylpiperidin-1-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is AGQHSNGOQVBPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-13-5-4-8-15(11-13)20(17,18)16-9-10-19-14(12-16)6-2-3-7-14/h13H,2-12H2,1H3.
What are the key properties of 9-(3-methylpiperidin-1-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane?
9-(3-methylpiperidin-1-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 302.44 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylpiperidin-1-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 71847498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).