2-(tert-butylamino)-5-thiomorpholin-4-ylpentanenitrile

C13H25N3S — CID 20825370

IUPAC2-(tert-butylamino)-5-thiomorpholin-4-ylpentanenitrile
SMILESCC(C)(C)NC(C#N)CCCN1CCSCC1
InChIInChI=1S/C13H25N3S/c1-13(2,3)15-12(11-14)5-4-6-16-7-9-17-10-8-16/h12,15H,4-10H2,1-3H3
InChIKeyDZGMASCSPJNAFJ-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.10
Rot. Bonds5

About 2-(tert-butylamino)-5-thiomorpholin-4-ylpentanenitrile

2-(tert-butylamino)-5-thiomorpholin-4-ylpentanenitrile (PubChem CID 20825370) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 2-(tert-butylamino)-5-thiomorpholin-4-ylpentanenitrile.

Molecular Properties

Compound Name2-(tert-butylamino)-5-thiomorpholin-4-ylpentanenitrile
PubChem CID20825370
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name2-(tert-butylamino)-5-thiomorpholin-4-ylpentanenitrile
SMILESCC(C)(C)NC(C#N)CCCN1CCSCC1
InChIInChI=1S/C13H25N3S/c1-13(2,3)15-12(11-14)5-4-6-16-7-9-17-10-8-16/h12,15H,4-10H2,1-3H3
InChIKeyDZGMASCSPJNAFJ-UHFFFAOYSA-N
XLogP2.10
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-5-thiomorpholin-4-ylpentanenitrile?
The IUPAC name of 2-(tert-butylamino)-5-thiomorpholin-4-ylpentanenitrile (CID 20825370) is 2-(tert-butylamino)-5-thiomorpholin-4-ylpentanenitrile.
What is the SMILES notation for 2-(tert-butylamino)-5-thiomorpholin-4-ylpentanenitrile?
The canonical SMILES for 2-(tert-butylamino)-5-thiomorpholin-4-ylpentanenitrile is CC(C)(C)NC(C#N)CCCN1CCSCC1.
What is the InChIKey of 2-(tert-butylamino)-5-thiomorpholin-4-ylpentanenitrile?
The InChIKey is DZGMASCSPJNAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-13(2,3)15-12(11-14)5-4-6-16-7-9-17-10-8-16/h12,15H,4-10H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-5-thiomorpholin-4-ylpentanenitrile?
2-(tert-butylamino)-5-thiomorpholin-4-ylpentanenitrile has a molecular weight of 255.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-5-thiomorpholin-4-ylpentanenitrile is sourced from PubChem (CID 20825370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).