1-(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)-N-methylmethanamine

C11H21NS — CID 79946671

IUPAC1-(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)-N-methylmethanamine
SMILESCNCC1CC12CSCC(C)(C)C2
InChIInChI=1S/C11H21NS/c1-10(2)6-11(8-13-7-10)4-9(11)5-12-3/h9,12H,4-8H2,1-3H3
InChIKeyUGJKGIWSFOLLSC-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.38
Rot. Bonds2

About 1-(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)-N-methylmethanamine

1-(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)-N-methylmethanamine (PubChem CID 79946671) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 1-(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)-N-methylmethanamine
PubChem CID79946671
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name1-(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)-N-methylmethanamine
SMILESCNCC1CC12CSCC(C)(C)C2
InChIInChI=1S/C11H21NS/c1-10(2)6-11(8-13-7-10)4-9(11)5-12-3/h9,12H,4-8H2,1-3H3
InChIKeyUGJKGIWSFOLLSC-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)-N-methylmethanamine (CID 79946671) is 1-(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)-N-methylmethanamine is CNCC1CC12CSCC(C)(C)C2.
What is the InChIKey of 1-(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)-N-methylmethanamine?
The InChIKey is UGJKGIWSFOLLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-10(2)6-11(8-13-7-10)4-9(11)5-12-3/h9,12H,4-8H2,1-3H3.
What are the key properties of 1-(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)-N-methylmethanamine?
1-(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)-N-methylmethanamine has a molecular weight of 199.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 79946671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).