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

C12H23NOS2 — CID 79906078

IUPAC2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
SMILESCC(C)(N)CSC1CCOC2(CCSC2)C1
InChIInChI=1S/C12H23NOS2/c1-11(2,13)8-16-10-3-5-14-12(7-10)4-6-15-9-12/h10H,3-9,13H2,1-2H3
InChIKeyXVIKNAQHKJJZKL-UHFFFAOYSA-N
MW261.46 g/mol
LogP2.51
Rot. Bonds3

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

2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine (PubChem CID 79906078) has the molecular formula C12H23NOS2 and a molecular weight of 261.46 g/mol. Its IUPAC name is 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
PubChem CID79906078
Molecular FormulaC12H23NOS2
Molecular Weight261.46 g/mol
Exact Mass261.12
IUPAC Name2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
SMILESCC(C)(N)CSC1CCOC2(CCSC2)C1
InChIInChI=1S/C12H23NOS2/c1-11(2,13)8-16-10-3-5-14-12(7-10)4-6-15-9-12/h10H,3-9,13H2,1-2H3
InChIKeyXVIKNAQHKJJZKL-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-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

Related Compounds

2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
CID 79906009
2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine
CID 79905629
1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
CID 79906005
3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol
CID 79899699
4-amino-4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 116571485
2-amino-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)butanoic acid
CID 79905978
2-acetamido-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propanoic acid
CID 79905395
2-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)propan-1-amine
CID 79905930
2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 116726119
2-ethyl-2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 116760457
(2R)-2-amino-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)propanoic acid
CID 79906197
2-formamido-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)butanoic acid
CID 79906053

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine?
The IUPAC name of 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine (CID 79906078) is 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine is CC(C)(N)CSC1CCOC2(CCSC2)C1.
What is the InChIKey of 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine?
The InChIKey is XVIKNAQHKJJZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS2/c1-11(2,13)8-16-10-3-5-14-12(7-10)4-6-15-9-12/h10H,3-9,13H2,1-2H3.
What are the key properties of 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine?
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine has a molecular weight of 261.46 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine is sourced from PubChem (CID 79906078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).