(1-thiomorpholin-4-ylcyclododecyl)methanamine

C17H34N2S — CID 29050308

IUPAC(1-thiomorpholin-4-ylcyclododecyl)methanamine
SMILESNCC1(N2CCSCC2)CCCCCCCCCCC1
InChIInChI=1S/C17H34N2S/c18-16-17(19-12-14-20-15-13-19)10-8-6-4-2-1-3-5-7-9-11-17/h1-16,18H2
InChIKeyNIUOAGAQFNDGGE-UHFFFAOYSA-N
MW298.54 g/mol
LogP4.04
Rot. Bonds2

About (1-thiomorpholin-4-ylcyclododecyl)methanamine

(1-thiomorpholin-4-ylcyclododecyl)methanamine (PubChem CID 29050308) has the molecular formula C17H34N2S and a molecular weight of 298.54 g/mol. Its IUPAC name is (1-thiomorpholin-4-ylcyclododecyl)methanamine.

Molecular Properties

Compound Name(1-thiomorpholin-4-ylcyclododecyl)methanamine
PubChem CID29050308
Molecular FormulaC17H34N2S
Molecular Weight298.54 g/mol
Exact Mass298.24
IUPAC Name(1-thiomorpholin-4-ylcyclododecyl)methanamine
SMILESNCC1(N2CCSCC2)CCCCCCCCCCC1
InChIInChI=1S/C17H34N2S/c18-16-17(19-12-14-20-15-13-19)10-8-6-4-2-1-3-5-7-9-11-17/h1-16,18H2
InChIKeyNIUOAGAQFNDGGE-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-thiomorpholin-4-ylcyclododecyl)methanamine?
The IUPAC name of (1-thiomorpholin-4-ylcyclododecyl)methanamine (CID 29050308) is (1-thiomorpholin-4-ylcyclododecyl)methanamine.
What is the SMILES notation for (1-thiomorpholin-4-ylcyclododecyl)methanamine?
The canonical SMILES for (1-thiomorpholin-4-ylcyclododecyl)methanamine is NCC1(N2CCSCC2)CCCCCCCCCCC1.
What is the InChIKey of (1-thiomorpholin-4-ylcyclododecyl)methanamine?
The InChIKey is NIUOAGAQFNDGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2S/c18-16-17(19-12-14-20-15-13-19)10-8-6-4-2-1-3-5-7-9-11-17/h1-16,18H2.
What are the key properties of (1-thiomorpholin-4-ylcyclododecyl)methanamine?
(1-thiomorpholin-4-ylcyclododecyl)methanamine has a molecular weight of 298.54 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-thiomorpholin-4-ylcyclododecyl)methanamine is sourced from PubChem (CID 29050308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).