(2S,3S)-3-amino-5-methylsulfanyl-2-morpholin-4-ylpentanenitrile

C10H19N3OS — CID 101085416

IUPAC(2S,3S)-3-amino-5-methylsulfanyl-2-morpholin-4-ylpentanenitrile
SMILESCSCC[C@H](N)[C@@H](C#N)N1CCOCC1
InChIInChI=1S/C10H19N3OS/c1-15-7-2-9(12)10(8-11)13-3-5-14-6-4-13/h9-10H,2-7,12H2,1H3/t9-,10+/m0/s1
InChIKeyHZLBCCGXPSJBLT-VHSXEESVSA-N
MW229.35 g/mol
LogP0.29
Rot. Bonds5

About (2S,3S)-3-amino-5-methylsulfanyl-2-morpholin-4-ylpentanenitrile

(2S,3S)-3-amino-5-methylsulfanyl-2-morpholin-4-ylpentanenitrile (PubChem CID 101085416) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is (2S,3S)-3-amino-5-methylsulfanyl-2-morpholin-4-ylpentanenitrile.

Molecular Properties

Compound Name(2S,3S)-3-amino-5-methylsulfanyl-2-morpholin-4-ylpentanenitrile
PubChem CID101085416
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name(2S,3S)-3-amino-5-methylsulfanyl-2-morpholin-4-ylpentanenitrile
SMILESCSCC[C@H](N)[C@@H](C#N)N1CCOCC1
InChIInChI=1S/C10H19N3OS/c1-15-7-2-9(12)10(8-11)13-3-5-14-6-4-13/h9-10H,2-7,12H2,1H3/t9-,10+/m0/s1
InChIKeyHZLBCCGXPSJBLT-VHSXEESVSA-N
XLogP0.29
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-5-methylsulfanyl-2-morpholin-4-ylpentanenitrile?
The IUPAC name of (2S,3S)-3-amino-5-methylsulfanyl-2-morpholin-4-ylpentanenitrile (CID 101085416) is (2S,3S)-3-amino-5-methylsulfanyl-2-morpholin-4-ylpentanenitrile.
What is the SMILES notation for (2S,3S)-3-amino-5-methylsulfanyl-2-morpholin-4-ylpentanenitrile?
The canonical SMILES for (2S,3S)-3-amino-5-methylsulfanyl-2-morpholin-4-ylpentanenitrile is CSCC[C@H](N)[C@@H](C#N)N1CCOCC1.
What is the InChIKey of (2S,3S)-3-amino-5-methylsulfanyl-2-morpholin-4-ylpentanenitrile?
The InChIKey is HZLBCCGXPSJBLT-VHSXEESVSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-15-7-2-9(12)10(8-11)13-3-5-14-6-4-13/h9-10H,2-7,12H2,1H3/t9-,10+/m0/s1.
What are the key properties of (2S,3S)-3-amino-5-methylsulfanyl-2-morpholin-4-ylpentanenitrile?
(2S,3S)-3-amino-5-methylsulfanyl-2-morpholin-4-ylpentanenitrile has a molecular weight of 229.35 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-5-methylsulfanyl-2-morpholin-4-ylpentanenitrile is sourced from PubChem (CID 101085416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).