1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-amine

C15H27NOS — CID 79912635

IUPAC1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
SMILESNC1(C2CCOC3(CCSCC3)C2)CCCCC1
InChIInChI=1S/C15H27NOS/c16-15(5-2-1-3-6-15)13-4-9-17-14(12-13)7-10-18-11-8-14/h13H,1-12,16H2
InChIKeyXQLPYCUDGMZYSI-UHFFFAOYSA-N
MW269.45 g/mol
LogP3.34
Rot. Bonds1

About 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-amine

1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-amine (PubChem CID 79912635) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
PubChem CID79912635
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
SMILESNC1(C2CCOC3(CCSCC3)C2)CCCCC1
InChIInChI=1S/C15H27NOS/c16-15(5-2-1-3-6-15)13-4-9-17-14(12-13)7-10-18-11-8-14/h13H,1-12,16H2
InChIKeyXQLPYCUDGMZYSI-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-amine?
The IUPAC name of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-amine (CID 79912635) is 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-amine is NC1(C2CCOC3(CCSCC3)C2)CCCCC1.
What is the InChIKey of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-amine?
The InChIKey is XQLPYCUDGMZYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c16-15(5-2-1-3-6-15)13-4-9-17-14(12-13)7-10-18-11-8-14/h13H,1-12,16H2.
What are the key properties of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-amine?
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-amine has a molecular weight of 269.45 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 79912635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).