2-amino-2-(3-propylthiophen-2-yl)acetonitrile

C9H12N2S — CID 139712652

IUPAC2-amino-2-(3-propylthiophen-2-yl)acetonitrile
SMILESCCCc1ccsc1C(N)C#N
InChIInChI=1S/C9H12N2S/c1-2-3-7-4-5-12-9(7)8(11)6-10/h4-5,8H,2-3,11H2,1H3
InChIKeySOZHAXSTHFQPJS-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.22
Rot. Bonds3

About 2-amino-2-(3-propylthiophen-2-yl)acetonitrile

2-amino-2-(3-propylthiophen-2-yl)acetonitrile (PubChem CID 139712652) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 2-amino-2-(3-propylthiophen-2-yl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(3-propylthiophen-2-yl)acetonitrile
PubChem CID139712652
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name2-amino-2-(3-propylthiophen-2-yl)acetonitrile
SMILESCCCc1ccsc1C(N)C#N
InChIInChI=1S/C9H12N2S/c1-2-3-7-4-5-12-9(7)8(11)6-10/h4-5,8H,2-3,11H2,1H3
InChIKeySOZHAXSTHFQPJS-UHFFFAOYSA-N
XLogP2.22
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-propylthiophen-2-yl)acetonitrile?
The IUPAC name of 2-amino-2-(3-propylthiophen-2-yl)acetonitrile (CID 139712652) is 2-amino-2-(3-propylthiophen-2-yl)acetonitrile.
What is the SMILES notation for 2-amino-2-(3-propylthiophen-2-yl)acetonitrile?
The canonical SMILES for 2-amino-2-(3-propylthiophen-2-yl)acetonitrile is CCCc1ccsc1C(N)C#N.
What is the InChIKey of 2-amino-2-(3-propylthiophen-2-yl)acetonitrile?
The InChIKey is SOZHAXSTHFQPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-2-3-7-4-5-12-9(7)8(11)6-10/h4-5,8H,2-3,11H2,1H3.
What are the key properties of 2-amino-2-(3-propylthiophen-2-yl)acetonitrile?
2-amino-2-(3-propylthiophen-2-yl)acetonitrile has a molecular weight of 180.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-propylthiophen-2-yl)acetonitrile is sourced from PubChem (CID 139712652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).