N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine

C14H25NOS — CID 79898216

IUPACN-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC1CCC(NC2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C14H25NOS/c1-2-4-12(5-3-1)15-13-6-8-16-14(10-13)7-9-17-11-14/h12-13,15H,1-11H2
InChIKeyFUMVAXLKHMZBFN-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.96
Rot. Bonds2

About N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79898216) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79898216
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC NameN-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC1CCC(NC2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C14H25NOS/c1-2-4-12(5-3-1)15-13-6-8-16-14(10-13)7-9-17-11-14/h12-13,15H,1-11H2
InChIKeyFUMVAXLKHMZBFN-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903431
N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80713723
1-cyclooctyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97234883
1-cycloheptyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97235483
N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903531
N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903163
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81385058
N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 103904016
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-propylpiperidin-4-amine
CID 79895232
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79898216) is N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine is C1CCC(NC2CCOC3(CCSC3)C2)CC1.
What is the InChIKey of N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is FUMVAXLKHMZBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-2-4-12(5-3-1)15-13-6-8-16-14(10-13)7-9-17-11-14/h12-13,15H,1-11H2.
What are the key properties of N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 255.43 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79898216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).