1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine

C15H28N2OS — CID 79898198

IUPAC1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine
SMILESCN1CCC(NC2CCOC3(CCSCC3)C2)CC1
InChIInChI=1S/C15H28N2OS/c1-17-7-2-13(3-8-17)16-14-4-9-18-15(12-14)5-10-19-11-6-15/h13-14,16H,2-12H2,1H3
InChIKeyAUCKNGUNIWFVNQ-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.12
Rot. Bonds2

About 1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine

1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine (PubChem CID 79898198) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine
PubChem CID79898198
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine
SMILESCN1CCC(NC2CCOC3(CCSCC3)C2)CC1
InChIInChI=1S/C15H28N2OS/c1-17-7-2-13(3-8-17)16-14-4-9-18-15(12-14)5-10-19-11-6-15/h13-14,16H,2-12H2,1H3
InChIKeyAUCKNGUNIWFVNQ-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-propylpiperidin-4-amine
CID 79895232
N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903238
N-(2-methyloxolan-3-yl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 82725580
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80713723
N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903531
N-(2-pyrrolidin-1-ylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903880
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 113281993
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
CID 114155940
N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 103904026
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione
CID 79903697

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine (CID 79898198) is 1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine is CN1CCC(NC2CCOC3(CCSCC3)C2)CC1.
What is the InChIKey of 1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine?
The InChIKey is AUCKNGUNIWFVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-17-7-2-13(3-8-17)16-14-4-9-18-15(12-14)5-10-19-11-6-15/h13-14,16H,2-12H2,1H3.
What are the key properties of 1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine?
1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine has a molecular weight of 284.47 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine is sourced from PubChem (CID 79898198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).