N-ethyl-2,2-dimethyl-3-thiomorpholin-4-ylpropan-1-amine

C11H24N2S — CID 62263258

IUPACN-ethyl-2,2-dimethyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCNCC(C)(C)CN1CCSCC1
InChIInChI=1S/C11H24N2S/c1-4-12-9-11(2,3)10-13-5-7-14-8-6-13/h12H,4-10H2,1-3H3
InChIKeyGIBGOGSJPOSSFP-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.67
Rot. Bonds5

About N-ethyl-2,2-dimethyl-3-thiomorpholin-4-ylpropan-1-amine

N-ethyl-2,2-dimethyl-3-thiomorpholin-4-ylpropan-1-amine (PubChem CID 62263258) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-thiomorpholin-4-ylpropan-1-amine
PubChem CID62263258
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC NameN-ethyl-2,2-dimethyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCNCC(C)(C)CN1CCSCC1
InChIInChI=1S/C11H24N2S/c1-4-12-9-11(2,3)10-13-5-7-14-8-6-13/h12H,4-10H2,1-3H3
InChIKeyGIBGOGSJPOSSFP-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-thiomorpholin-4-ylpropan-1-amine (CID 62263258) is N-ethyl-2,2-dimethyl-3-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-thiomorpholin-4-ylpropan-1-amine is CCNCC(C)(C)CN1CCSCC1.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is GIBGOGSJPOSSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-4-12-9-11(2,3)10-13-5-7-14-8-6-13/h12H,4-10H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-thiomorpholin-4-ylpropan-1-amine?
N-ethyl-2,2-dimethyl-3-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 216.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62263258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).