N-methyl-1-(5-thiaspiro[2.4]heptan-2-yl)methanamine

C8H15NS — CID 62703650

IUPACN-methyl-1-(5-thiaspiro[2.4]heptan-2-yl)methanamine
SMILESCNCC1CC12CCSC2
InChIInChI=1S/C8H15NS/c1-9-5-7-4-8(7)2-3-10-6-8/h7,9H,2-6H2,1H3
InChIKeyYBPRDTPNFJBXNI-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.35
Rot. Bonds2

About N-methyl-1-(5-thiaspiro[2.4]heptan-2-yl)methanamine

N-methyl-1-(5-thiaspiro[2.4]heptan-2-yl)methanamine (PubChem CID 62703650) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N-methyl-1-(5-thiaspiro[2.4]heptan-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-thiaspiro[2.4]heptan-2-yl)methanamine
PubChem CID62703650
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN-methyl-1-(5-thiaspiro[2.4]heptan-2-yl)methanamine
SMILESCNCC1CC12CCSC2
InChIInChI=1S/C8H15NS/c1-9-5-7-4-8(7)2-3-10-6-8/h7,9H,2-6H2,1H3
InChIKeyYBPRDTPNFJBXNI-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.35
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[2.4]heptan-2-yl)methanamine?
The IUPAC name of N-methyl-1-(5-thiaspiro[2.4]heptan-2-yl)methanamine (CID 62703650) is N-methyl-1-(5-thiaspiro[2.4]heptan-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-thiaspiro[2.4]heptan-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-thiaspiro[2.4]heptan-2-yl)methanamine is CNCC1CC12CCSC2.
What is the InChIKey of N-methyl-1-(5-thiaspiro[2.4]heptan-2-yl)methanamine?
The InChIKey is YBPRDTPNFJBXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-9-5-7-4-8(7)2-3-10-6-8/h7,9H,2-6H2,1H3.
What are the key properties of N-methyl-1-(5-thiaspiro[2.4]heptan-2-yl)methanamine?
N-methyl-1-(5-thiaspiro[2.4]heptan-2-yl)methanamine has a molecular weight of 157.28 g/mol, XLogP of 1.35, 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[2.4]heptan-2-yl)methanamine is sourced from PubChem (CID 62703650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).