2-amino-2-methyl-3-thiophen-2-ylpropanenitrile

C8H10N2S — CID 82074760

IUPAC2-amino-2-methyl-3-thiophen-2-ylpropanenitrile
SMILESCC(N)(C#N)Cc1cccs1
InChIInChI=1S/C8H10N2S/c1-8(10,6-9)5-7-3-2-4-11-7/h2-4H,5,10H2,1H3
InChIKeyHINJERCQQFHSOD-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.53
Rot. Bonds2

About 2-amino-2-methyl-3-thiophen-2-ylpropanenitrile

2-amino-2-methyl-3-thiophen-2-ylpropanenitrile (PubChem CID 82074760) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-amino-2-methyl-3-thiophen-2-ylpropanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-3-thiophen-2-ylpropanenitrile
PubChem CID82074760
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name2-amino-2-methyl-3-thiophen-2-ylpropanenitrile
SMILESCC(N)(C#N)Cc1cccs1
InChIInChI=1S/C8H10N2S/c1-8(10,6-9)5-7-3-2-4-11-7/h2-4H,5,10H2,1H3
InChIKeyHINJERCQQFHSOD-UHFFFAOYSA-N
XLogP1.53
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile
CID 117048848
2-methyl-2-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpropanenitrile
CID 82087255
2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile
CID 82083214
2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile
CID 117048835
2,2-dimethyl-3-thiophen-2-ylpropanethioamide
CID 174989051
3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine
CID 130574546
3-amino-3-methyl-4-thiophen-2-ylbutanoic acid
CID 83531714
2,2-dimethyl-4-(2-thiophen-2-ylethylamino)butanenitrile
CID 65248968
2-(2-fluorophenyl)-1-thiophen-2-ylpropan-2-amine
CID 62621819
2-(2,2-difluoro-2-iodoethyl)thiophene
CID 175168405
2-[2,2-bis(bromomethyl)butyl]thiophene
CID 79456515

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-thiophen-2-ylpropanenitrile?
The IUPAC name of 2-amino-2-methyl-3-thiophen-2-ylpropanenitrile (CID 82074760) is 2-amino-2-methyl-3-thiophen-2-ylpropanenitrile.
What is the SMILES notation for 2-amino-2-methyl-3-thiophen-2-ylpropanenitrile?
The canonical SMILES for 2-amino-2-methyl-3-thiophen-2-ylpropanenitrile is CC(N)(C#N)Cc1cccs1.
What is the InChIKey of 2-amino-2-methyl-3-thiophen-2-ylpropanenitrile?
The InChIKey is HINJERCQQFHSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-8(10,6-9)5-7-3-2-4-11-7/h2-4H,5,10H2,1H3.
What are the key properties of 2-amino-2-methyl-3-thiophen-2-ylpropanenitrile?
2-amino-2-methyl-3-thiophen-2-ylpropanenitrile has a molecular weight of 166.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-thiophen-2-ylpropanenitrile is sourced from PubChem (CID 82074760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).