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

C14H26N2O3S — CID 165477996

IUPAC4-cyclopentylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine
SMILESNC1CCC2(CC1)CN(S(=O)(=O)C1CCCC1)CCO2
InChIInChI=1S/C14H26N2O3S/c15-12-5-7-14(8-6-12)11-16(9-10-19-14)20(17,18)13-3-1-2-4-13/h12-13H,1-11,15H2
InChIKeyYVWVRBGZJLTAOY-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.23
Rot. Bonds2

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

4-cyclopentylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine (PubChem CID 165477996) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-cyclopentylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound Name4-cyclopentylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine
PubChem CID165477996
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name4-cyclopentylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine
SMILESNC1CCC2(CC1)CN(S(=O)(=O)C1CCCC1)CCO2
InChIInChI=1S/C14H26N2O3S/c15-12-5-7-14(8-6-12)11-16(9-10-19-14)20(17,18)13-3-1-2-4-13/h12-13H,1-11,15H2
InChIKeyYVWVRBGZJLTAOY-UHFFFAOYSA-N
XLogP1.23
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine?
The IUPAC name of 4-cyclopentylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine (CID 165477996) is 4-cyclopentylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for 4-cyclopentylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for 4-cyclopentylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine is NC1CCC2(CC1)CN(S(=O)(=O)C1CCCC1)CCO2.
What is the InChIKey of 4-cyclopentylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine?
The InChIKey is YVWVRBGZJLTAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c15-12-5-7-14(8-6-12)11-16(9-10-19-14)20(17,18)13-3-1-2-4-13/h12-13H,1-11,15H2.
What are the key properties of 4-cyclopentylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine?
4-cyclopentylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine has a molecular weight of 302.44 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 165477996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).