4-methylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine

C10H20N2O3S — CID 165463206

IUPAC4-methylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine
SMILESCS(=O)(=O)N1CCOC2(CCC(N)CC2)C1
InChIInChI=1S/C10H20N2O3S/c1-16(13,14)12-6-7-15-10(8-12)4-2-9(11)3-5-10/h9H,2-8,11H2,1H3
InChIKeyCLDDESQVMCZNSR-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.08
Rot. Bonds1

About 4-methylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine

4-methylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine (PubChem CID 165463206) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-methylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound Name4-methylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine
PubChem CID165463206
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name4-methylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine
SMILESCS(=O)(=O)N1CCOC2(CCC(N)CC2)C1
InChIInChI=1S/C10H20N2O3S/c1-16(13,14)12-6-7-15-10(8-12)4-2-9(11)3-5-10/h9H,2-8,11H2,1H3
InChIKeyCLDDESQVMCZNSR-UHFFFAOYSA-N
XLogP-0.08
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine
CID 165477996
9-tert-butyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 126502697
4-(4-nitrophenyl)sulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine
CID 165494337
4-(cyclohexylmethyl)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155875510
2,2-ditert-butyl-4-methylsulfonylmorpholine
CID 140924945
(9-amino-1-oxa-4-azaspiro[5.5]undecan-4-yl)-cyclobutylmethanone
CID 165470181
1-oxaspiro[4.5]decan-8-amine
CID 67070405
3,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 115269791
2-[(1R,5S)-4'-methylsulfonylspiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-phenylethanol
CID 154570826
1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 79895699
(6R)-4-methylsulfonyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97495133
4-bromo-3,3-dimethyl-1-methylsulfonylpiperidine
CID 130533745

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine?
The IUPAC name of 4-methylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine (CID 165463206) is 4-methylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for 4-methylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for 4-methylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine is CS(=O)(=O)N1CCOC2(CCC(N)CC2)C1.
What is the InChIKey of 4-methylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine?
The InChIKey is CLDDESQVMCZNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-16(13,14)12-6-7-15-10(8-12)4-2-9(11)3-5-10/h9H,2-8,11H2,1H3.
What are the key properties of 4-methylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine?
4-methylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine has a molecular weight of 248.35 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 165463206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).