5-(2-thiomorpholin-4-ylethylamino)pentanenitrile

C11H21N3S — CID 106325106

IUPAC5-(2-thiomorpholin-4-ylethylamino)pentanenitrile
SMILESN#CCCCCNCCN1CCSCC1
InChIInChI=1S/C11H21N3S/c12-4-2-1-3-5-13-6-7-14-8-10-15-11-9-14/h13H,1-3,5-11H2
InChIKeyVLANIYCAZIPOCQ-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.32
Rot. Bonds7

About 5-(2-thiomorpholin-4-ylethylamino)pentanenitrile

5-(2-thiomorpholin-4-ylethylamino)pentanenitrile (PubChem CID 106325106) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 5-(2-thiomorpholin-4-ylethylamino)pentanenitrile.

Molecular Properties

Compound Name5-(2-thiomorpholin-4-ylethylamino)pentanenitrile
PubChem CID106325106
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name5-(2-thiomorpholin-4-ylethylamino)pentanenitrile
SMILESN#CCCCCNCCN1CCSCC1
InChIInChI=1S/C11H21N3S/c12-4-2-1-3-5-13-6-7-14-8-10-15-11-9-14/h13H,1-3,5-11H2
InChIKeyVLANIYCAZIPOCQ-UHFFFAOYSA-N
XLogP1.32
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-5-(2-thiomorpholin-4-ylethylamino)pentanenitrile
CID 103699415
N-[2-(1,4-thiazepan-4-yl)ethyl]butan-1-amine
CID 62557597
N-propyl-5-thiomorpholin-4-ylpentan-1-amine
CID 62417898
N-propyl-3-thiomorpholin-4-ylpropan-1-amine
CID 61386591
4-(3-morpholin-4-ylpropylamino)butanenitrile
CID 43236907
1-[(2-thiomorpholin-4-ylethylamino)methyl]cycloheptan-1-ol
CID 106325299
3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol
CID 106325271
N-propyl-5-(1,4-thiazepan-4-yl)pentan-1-amine
CID 62412587
3-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325237
N-ethyl-2-(1,4-thiazepan-4-yl)ethanamine
CID 61419848
N-propan-2-yl-4-thiomorpholin-4-ylbutan-1-amine
CID 60851852
N-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325729

Frequently Asked Questions

What is the IUPAC name of 5-(2-thiomorpholin-4-ylethylamino)pentanenitrile?
The IUPAC name of 5-(2-thiomorpholin-4-ylethylamino)pentanenitrile (CID 106325106) is 5-(2-thiomorpholin-4-ylethylamino)pentanenitrile.
What is the SMILES notation for 5-(2-thiomorpholin-4-ylethylamino)pentanenitrile?
The canonical SMILES for 5-(2-thiomorpholin-4-ylethylamino)pentanenitrile is N#CCCCCNCCN1CCSCC1.
What is the InChIKey of 5-(2-thiomorpholin-4-ylethylamino)pentanenitrile?
The InChIKey is VLANIYCAZIPOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c12-4-2-1-3-5-13-6-7-14-8-10-15-11-9-14/h13H,1-3,5-11H2.
What are the key properties of 5-(2-thiomorpholin-4-ylethylamino)pentanenitrile?
5-(2-thiomorpholin-4-ylethylamino)pentanenitrile has a molecular weight of 227.38 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-thiomorpholin-4-ylethylamino)pentanenitrile is sourced from PubChem (CID 106325106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).