2-(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)ethanamine

C10H20N2S — CID 82397395

IUPAC2-(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)ethanamine
SMILESCN1CC2(CC(CCN)CCS2)C1
InChIInChI=1S/C10H20N2S/c1-12-7-10(8-12)6-9(2-4-11)3-5-13-10/h9H,2-8,11H2,1H3
InChIKeyIVPKDNNXGYAVKE-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.16
Rot. Bonds2

About 2-(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)ethanamine

2-(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)ethanamine (PubChem CID 82397395) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)ethanamine
PubChem CID82397395
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)ethanamine
SMILESCN1CC2(CC(CCN)CCS2)C1
InChIInChI=1S/C10H20N2S/c1-12-7-10(8-12)6-9(2-4-11)3-5-13-10/h9H,2-8,11H2,1H3
InChIKeyIVPKDNNXGYAVKE-UHFFFAOYSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-Ethyl-6-thiomorpholin-4-ylhexan-1-amine
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3-Ethyl-6-(3-methylthiomorpholin-4-yl)hexan-1-amine
CID 64344905
3-Propyl-6-thiomorpholin-4-ylhexan-1-amine
CID 64347993
3-Methyl-6-(3-methylthiomorpholin-4-yl)hexan-1-amine
CID 64350003
6-(2,6-Dimethylthiomorpholin-4-yl)-3-methylhexan-1-amine
CID 64350005
3-Methyl-6-(thiomorpholin-4-yl)hexan-1-amine
CID 64350381
4-Thiomorpholinehexanamine, I(3)-(1-methylethyl)-
CID 64359474

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)ethanamine?
The IUPAC name of 2-(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)ethanamine (CID 82397395) is 2-(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)ethanamine is CN1CC2(CC(CCN)CCS2)C1.
What is the InChIKey of 2-(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)ethanamine?
The InChIKey is IVPKDNNXGYAVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-12-7-10(8-12)6-9(2-4-11)3-5-13-10/h9H,2-8,11H2,1H3.
What are the key properties of 2-(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)ethanamine?
2-(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)ethanamine has a molecular weight of 200.35 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)ethanamine is sourced from PubChem (CID 82397395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).