N-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine

C15H32N2S — CID 62263810

IUPACN-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine
SMILESCCC(CC)(CNC(C)(C)C)CN1CCSCC1
InChIInChI=1S/C15H32N2S/c1-6-15(7-2,12-16-14(3,4)5)13-17-8-10-18-11-9-17/h16H,6-13H2,1-5H3
InChIKeyICDZMFPOEOKAJX-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.23
Rot. Bonds6

About N-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine

N-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine (PubChem CID 62263810) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine
PubChem CID62263810
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC NameN-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine
SMILESCCC(CC)(CNC(C)(C)C)CN1CCSCC1
InChIInChI=1S/C15H32N2S/c1-6-15(7-2,12-16-14(3,4)5)13-17-8-10-18-11-9-17/h16H,6-13H2,1-5H3
InChIKeyICDZMFPOEOKAJX-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine?
The IUPAC name of N-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine (CID 62263810) is N-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine is CCC(CC)(CNC(C)(C)C)CN1CCSCC1.
What is the InChIKey of N-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine?
The InChIKey is ICDZMFPOEOKAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-6-15(7-2,12-16-14(3,4)5)13-17-8-10-18-11-9-17/h16H,6-13H2,1-5H3.
What are the key properties of N-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine?
N-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine has a molecular weight of 272.50 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 62263810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).