1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine

C14H25NOS — CID 79912523

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine
SMILESNC1(C2CCOC3(CCSC3)C2)CCCCC1
InChIInChI=1S/C14H25NOS/c15-14(5-2-1-3-6-14)12-4-8-16-13(10-12)7-9-17-11-13/h12H,1-11,15H2
InChIKeyHCEDKRVXKFRZKW-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.95
Rot. Bonds1

About 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine (PubChem CID 79912523) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine
PubChem CID79912523
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine
SMILESNC1(C2CCOC3(CCSC3)C2)CCCCC1
InChIInChI=1S/C14H25NOS/c15-14(5-2-1-3-6-14)12-4-8-16-13(10-12)7-9-17-11-13/h12H,1-11,15H2
InChIKeyHCEDKRVXKFRZKW-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine (CID 79912523) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine is NC1(C2CCOC3(CCSC3)C2)CCCCC1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The InChIKey is HCEDKRVXKFRZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c15-14(5-2-1-3-6-14)12-4-8-16-13(10-12)7-9-17-11-13/h12H,1-11,15H2.
What are the key properties of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine has a molecular weight of 255.43 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine is sourced from PubChem (CID 79912523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).