2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile

C11H20N2OS — CID 106495473

IUPAC2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile
SMILESCC(CC(C)(N)C#N)SCC1CCCO1
InChIInChI=1S/C11H20N2OS/c1-9(6-11(2,13)8-12)15-7-10-4-3-5-14-10/h9-10H,3-7,13H2,1-2H3
InChIKeyAMKKJZGSDDMMFE-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.92
Rot. Bonds5

About 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile

2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile (PubChem CID 106495473) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile
PubChem CID106495473
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile
SMILESCC(CC(C)(N)C#N)SCC1CCCO1
InChIInChI=1S/C11H20N2OS/c1-9(6-11(2,13)8-12)15-7-10-4-3-5-14-10/h9-10H,3-7,13H2,1-2H3
InChIKeyAMKKJZGSDDMMFE-UHFFFAOYSA-N
XLogP1.92
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile
CID 64711370
2-(oxolan-2-ylmethylsulfanyl)propan-1-amine
CID 66242081
methyl 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanoate
CID 106495684
2-methyl-2-(methylamino)-4-(oxolan-2-ylmethylsulfanyl)pentanoic acid
CID 106495532
2-methyl-4-(oxolan-2-ylmethylsulfanyl)-2-(propan-2-ylamino)butanenitrile
CID 106495503
N-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine
CID 106495862
4-[(1R)-1-[[(2R)-oxolan-2-yl]methylsulfanyl]ethyl]benzonitrile
CID 124567227
N-[2-(oxolan-2-ylmethylsulfanyl)propyl]aniline
CID 106495831
2-amino-3-(oxolan-2-ylmethylsulfanyl)propanenitrile
CID 106495466
2-(ethenylsulfanylmethyl)oxolane
CID 19076165
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
3,3-dimethoxy-2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile
CID 66168021

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile?
The IUPAC name of 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile (CID 106495473) is 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile is CC(CC(C)(N)C#N)SCC1CCCO1.
What is the InChIKey of 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile?
The InChIKey is AMKKJZGSDDMMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9(6-11(2,13)8-12)15-7-10-4-3-5-14-10/h9-10H,3-7,13H2,1-2H3.
What are the key properties of 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile?
2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile has a molecular weight of 228.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile is sourced from PubChem (CID 106495473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).