N-ethyl-2-methyl-3-thiomorpholin-4-ylbutan-1-amine

C11H24N2S — CID 81012639

IUPACN-ethyl-2-methyl-3-thiomorpholin-4-ylbutan-1-amine
SMILESCCNCC(C)C(C)N1CCSCC1
InChIInChI=1S/C11H24N2S/c1-4-12-9-10(2)11(3)13-5-7-14-8-6-13/h10-12H,4-9H2,1-3H3
InChIKeyUBSMYIBNMNETBZ-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.67
Rot. Bonds5

About N-ethyl-2-methyl-3-thiomorpholin-4-ylbutan-1-amine

N-ethyl-2-methyl-3-thiomorpholin-4-ylbutan-1-amine (PubChem CID 81012639) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-thiomorpholin-4-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-thiomorpholin-4-ylbutan-1-amine
PubChem CID81012639
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC NameN-ethyl-2-methyl-3-thiomorpholin-4-ylbutan-1-amine
SMILESCCNCC(C)C(C)N1CCSCC1
InChIInChI=1S/C11H24N2S/c1-4-12-9-10(2)11(3)13-5-7-14-8-6-13/h10-12H,4-9H2,1-3H3
InChIKeyUBSMYIBNMNETBZ-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-methyl-3-thiomorpholin-4-ylbutan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-thiomorpholin-4-ylbutan-1-amine (CID 81012639) is N-ethyl-2-methyl-3-thiomorpholin-4-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-thiomorpholin-4-ylbutan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-thiomorpholin-4-ylbutan-1-amine is CCNCC(C)C(C)N1CCSCC1.
What is the InChIKey of N-ethyl-2-methyl-3-thiomorpholin-4-ylbutan-1-amine?
The InChIKey is UBSMYIBNMNETBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-4-12-9-10(2)11(3)13-5-7-14-8-6-13/h10-12H,4-9H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-3-thiomorpholin-4-ylbutan-1-amine?
N-ethyl-2-methyl-3-thiomorpholin-4-ylbutan-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-methyl-3-thiomorpholin-4-ylbutan-1-amine is sourced from PubChem (CID 81012639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).