5-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-ylcyclohexan-1-amine

C18H33NOS — CID 79907462

IUPAC5-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C18H33NOS/c1-13(2)16-5-4-14(3)10-18(16,19)15-6-8-20-17(11-15)7-9-21-12-17/h13-16H,4-12,19H2,1-3H3
InChIKeyHMTWQWHXJNFORC-UHFFFAOYSA-N
MW311.54 g/mol
LogP4.08
Rot. Bonds2

About 5-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-ylcyclohexan-1-amine

5-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-ylcyclohexan-1-amine (PubChem CID 79907462) has the molecular formula C18H33NOS and a molecular weight of 311.54 g/mol. Its IUPAC name is 5-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-ylcyclohexan-1-amine
PubChem CID79907462
Molecular FormulaC18H33NOS
Molecular Weight311.54 g/mol
Exact Mass311.23
IUPAC Name5-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C18H33NOS/c1-13(2)16-5-4-14(3)10-18(16,19)15-6-8-20-17(11-15)7-9-21-12-17/h13-16H,4-12,19H2,1-3H3
InChIKeyHMTWQWHXJNFORC-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-ylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-ylcyclohexan-1-amine (CID 79907462) is 5-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(N)(C2CCOC3(CCSC3)C2)C1.
What is the InChIKey of 5-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is HMTWQWHXJNFORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NOS/c1-13(2)16-5-4-14(3)10-18(16,19)15-6-8-20-17(11-15)7-9-21-12-17/h13-16H,4-12,19H2,1-3H3.
What are the key properties of 5-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-ylcyclohexan-1-amine?
5-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 311.54 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 79907462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).