3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-amine

C14H27NOS — CID 79912650

IUPAC3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-amine
SMILESCCC(C)C(C)(N)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H27NOS/c1-4-11(2)13(3,15)12-5-7-16-14(9-12)6-8-17-10-14/h11-12H,4-10,15H2,1-3H3
InChIKeyPYFQAOLAZXQTMS-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.05
Rot. Bonds3

About 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-amine

3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-amine (PubChem CID 79912650) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-amine.

Molecular Properties

Compound Name3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-amine
PubChem CID79912650
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-amine
SMILESCCC(C)C(C)(N)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H27NOS/c1-4-11(2)13(3,15)12-5-7-16-14(9-12)6-8-17-10-14/h11-12H,4-10,15H2,1-3H3
InChIKeyPYFQAOLAZXQTMS-UHFFFAOYSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-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 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-amine?
The IUPAC name of 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-amine (CID 79912650) is 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-amine.
What is the SMILES notation for 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-amine?
The canonical SMILES for 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-amine is CCC(C)C(C)(N)C1CCOC2(CCSC2)C1.
What is the InChIKey of 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-amine?
The InChIKey is PYFQAOLAZXQTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-4-11(2)13(3,15)12-5-7-16-14(9-12)6-8-17-10-14/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-amine?
3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-amine has a molecular weight of 257.44 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-amine is sourced from PubChem (CID 79912650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).