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

C9H18N2S — CID 82405622

IUPAC(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)methanamine
SMILESCN1CC2(CC(CN)CCS2)C1
InChIInChI=1S/C9H18N2S/c1-11-6-9(7-11)4-8(5-10)2-3-12-9/h8H,2-7,10H2,1H3
InChIKeyPXAWJRRQPPUQFY-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.77
Rot. Bonds1

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

(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 82405622) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is (2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)methanamine
PubChem CID82405622
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)methanamine
SMILESCN1CC2(CC(CN)CCS2)C1
InChIInChI=1S/C9H18N2S/c1-11-6-9(7-11)4-8(5-10)2-3-12-9/h8H,2-7,10H2,1H3
InChIKeyPXAWJRRQPPUQFY-UHFFFAOYSA-N
XLogP0.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 137935799
3-(Thian-4-yl)azetidine
CID 83815572
Ethane;3-(thian-4-yl)azetidine
CID 145675304
2-[1-(3-Methylsulfanylpropyl)piperidin-3-yl]ethanamine
CID 64027128
6-(2,6-Dimethylthiomorpholin-4-yl)-3-ethylhexan-1-amine
CID 64341964
3-Ethyl-6-thiomorpholin-4-ylhexan-1-amine
CID 64343123
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-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of (2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)methanamine (CID 82405622) is (2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for (2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for (2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)methanamine is CN1CC2(CC(CN)CCS2)C1.
What is the InChIKey of (2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is PXAWJRRQPPUQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-11-6-9(7-11)4-8(5-10)2-3-12-9/h8H,2-7,10H2,1H3.
What are the key properties of (2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)methanamine?
(2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 186.32 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-thia-2-azaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 82405622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).