5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile

C10H20N2OS — CID 106246917

IUPAC5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile
SMILESCSCC(C)(O)CNCCCCC#N
InChIInChI=1S/C10H20N2OS/c1-10(13,9-14-2)8-12-7-5-3-4-6-11/h12-13H,3-5,7-9H2,1-2H3
InChIKeyABFRMDHRUNQLRO-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.38
Rot. Bonds8

About 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile

5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile (PubChem CID 106246917) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile.

Molecular Properties

Compound Name5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile
PubChem CID106246917
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile
SMILESCSCC(C)(O)CNCCCCC#N
InChIInChI=1S/C10H20N2OS/c1-10(13,9-14-2)8-12-7-5-3-4-6-11/h12-13H,3-5,7-9H2,1-2H3
InChIKeyABFRMDHRUNQLRO-UHFFFAOYSA-N
XLogP1.38
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]hexanoic acid
CID 106247319
5-(2,2-dimethylbutylamino)pentanenitrile
CID 103699023
5-(2-methylsulfanylethylamino)pentanenitrile
CID 60695440
1-(2-fluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246870
3-[(2-hydroxy-2,4-dimethylpentyl)amino]propanenitrile
CID 66174666
2-methyl-1-methylsulfanyl-3-[4-(oxan-4-yl)butylamino]propan-2-ol
CID 114191160
1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
CID 106246909
1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247153
2-methyl-3-(3-methylsulfanylpropylamino)propane-1,2-diol
CID 66169425
1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide
CID 106245470
5-(3,3,3-trifluoropropylamino)pentanenitrile
CID 63226133
4,4-dimethyl-5-(5-methylhexylamino)pentanenitrile
CID 115654451

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile?
The IUPAC name of 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile (CID 106246917) is 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile.
What is the SMILES notation for 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile?
The canonical SMILES for 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile is CSCC(C)(O)CNCCCCC#N.
What is the InChIKey of 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile?
The InChIKey is ABFRMDHRUNQLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-10(13,9-14-2)8-12-7-5-3-4-6-11/h12-13H,3-5,7-9H2,1-2H3.
What are the key properties of 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile?
5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile has a molecular weight of 216.35 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile is sourced from PubChem (CID 106246917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).