2-amino-2-(4-butan-2-ylthiophen-3-yl)acetonitrile

C10H14N2S — CID 139712678

IUPAC2-amino-2-(4-butan-2-ylthiophen-3-yl)acetonitrile
SMILESCCC(C)c1cscc1C(N)C#N
InChIInChI=1S/C10H14N2S/c1-3-7(2)8-5-13-6-9(8)10(12)4-11/h5-7,10H,3,12H2,1-2H3
InChIKeyIEVNZNXHIUZDFF-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.78
Rot. Bonds3

About 2-amino-2-(4-butan-2-ylthiophen-3-yl)acetonitrile

2-amino-2-(4-butan-2-ylthiophen-3-yl)acetonitrile (PubChem CID 139712678) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-amino-2-(4-butan-2-ylthiophen-3-yl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(4-butan-2-ylthiophen-3-yl)acetonitrile
PubChem CID139712678
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-amino-2-(4-butan-2-ylthiophen-3-yl)acetonitrile
SMILESCCC(C)c1cscc1C(N)C#N
InChIInChI=1S/C10H14N2S/c1-3-7(2)8-5-13-6-9(8)10(12)4-11/h5-7,10H,3,12H2,1-2H3
InChIKeyIEVNZNXHIUZDFF-UHFFFAOYSA-N
XLogP2.78
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-butan-2-ylthiophen-3-yl)acetonitrile?
The IUPAC name of 2-amino-2-(4-butan-2-ylthiophen-3-yl)acetonitrile (CID 139712678) is 2-amino-2-(4-butan-2-ylthiophen-3-yl)acetonitrile.
What is the SMILES notation for 2-amino-2-(4-butan-2-ylthiophen-3-yl)acetonitrile?
The canonical SMILES for 2-amino-2-(4-butan-2-ylthiophen-3-yl)acetonitrile is CCC(C)c1cscc1C(N)C#N.
What is the InChIKey of 2-amino-2-(4-butan-2-ylthiophen-3-yl)acetonitrile?
The InChIKey is IEVNZNXHIUZDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-3-7(2)8-5-13-6-9(8)10(12)4-11/h5-7,10H,3,12H2,1-2H3.
What are the key properties of 2-amino-2-(4-butan-2-ylthiophen-3-yl)acetonitrile?
2-amino-2-(4-butan-2-ylthiophen-3-yl)acetonitrile has a molecular weight of 194.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-butan-2-ylthiophen-3-yl)acetonitrile is sourced from PubChem (CID 139712678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).