3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine

C16H29NOS — CID 79912427

IUPAC3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine
SMILESCC1CC(C)CC(N)(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C16H29NOS/c1-12-7-13(2)9-16(17,8-12)14-3-5-18-15(10-14)4-6-19-11-15/h12-14H,3-11,17H2,1-2H3
InChIKeyFELCIGRGFXCSIB-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.44
Rot. Bonds1

About 3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine

3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine (PubChem CID 79912427) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is 3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine
PubChem CID79912427
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC Name3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine
SMILESCC1CC(C)CC(N)(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C16H29NOS/c1-12-7-13(2)9-16(17,8-12)14-3-5-18-15(10-14)4-6-19-11-15/h12-14H,3-11,17H2,1-2H3
InChIKeyFELCIGRGFXCSIB-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine (CID 79912427) is 3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine is CC1CC(C)CC(N)(C2CCOC3(CCSC3)C2)C1.
What is the InChIKey of 3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The InChIKey is FELCIGRGFXCSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-12-7-13(2)9-16(17,8-12)14-3-5-18-15(10-14)4-6-19-11-15/h12-14H,3-11,17H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine has a molecular weight of 283.48 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine is sourced from PubChem (CID 79912427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).