N-methyl-1-(5-thiaspiro[2.5]octan-2-yl)methanamine

C9H17NS — CID 62873505

IUPACN-methyl-1-(5-thiaspiro[2.5]octan-2-yl)methanamine
SMILESCNCC1CC12CCCSC2
InChIInChI=1S/C9H17NS/c1-10-6-8-5-9(8)3-2-4-11-7-9/h8,10H,2-7H2,1H3
InChIKeyOJEFVSZOFXFADI-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.74
Rot. Bonds2

About N-methyl-1-(5-thiaspiro[2.5]octan-2-yl)methanamine

N-methyl-1-(5-thiaspiro[2.5]octan-2-yl)methanamine (PubChem CID 62873505) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is N-methyl-1-(5-thiaspiro[2.5]octan-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-thiaspiro[2.5]octan-2-yl)methanamine
PubChem CID62873505
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC NameN-methyl-1-(5-thiaspiro[2.5]octan-2-yl)methanamine
SMILESCNCC1CC12CCCSC2
InChIInChI=1S/C9H17NS/c1-10-6-8-5-9(8)3-2-4-11-7-9/h8,10H,2-7H2,1H3
InChIKeyOJEFVSZOFXFADI-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-thiaspiro[2.5]octan-2-yl)methanamine?
The IUPAC name of N-methyl-1-(5-thiaspiro[2.5]octan-2-yl)methanamine (CID 62873505) is N-methyl-1-(5-thiaspiro[2.5]octan-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-thiaspiro[2.5]octan-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-thiaspiro[2.5]octan-2-yl)methanamine is CNCC1CC12CCCSC2.
What is the InChIKey of N-methyl-1-(5-thiaspiro[2.5]octan-2-yl)methanamine?
The InChIKey is OJEFVSZOFXFADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-10-6-8-5-9(8)3-2-4-11-7-9/h8,10H,2-7H2,1H3.
What are the key properties of N-methyl-1-(5-thiaspiro[2.5]octan-2-yl)methanamine?
N-methyl-1-(5-thiaspiro[2.5]octan-2-yl)methanamine has a molecular weight of 171.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-thiaspiro[2.5]octan-2-yl)methanamine is sourced from PubChem (CID 62873505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).