3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile

C9H11N3S — CID 103525977

IUPAC3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile
SMILESN#Cc1sc(NC2CCC2)cc1N
InChIInChI=1S/C9H11N3S/c10-5-8-7(11)4-9(13-8)12-6-2-1-3-6/h4,6,12H,1-3,11H2
InChIKeyQREMYFUVOHIPFR-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.17
Rot. Bonds2

About 3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile

3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile (PubChem CID 103525977) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile
PubChem CID103525977
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile
SMILESN#Cc1sc(NC2CCC2)cc1N
InChIInChI=1S/C9H11N3S/c10-5-8-7(11)4-9(13-8)12-6-2-1-3-6/h4,6,12H,1-3,11H2
InChIKeyQREMYFUVOHIPFR-UHFFFAOYSA-N
XLogP2.17
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile (CID 103525977) is 3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile is N#Cc1sc(NC2CCC2)cc1N.
What is the InChIKey of 3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile?
The InChIKey is QREMYFUVOHIPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c10-5-8-7(11)4-9(13-8)12-6-2-1-3-6/h4,6,12H,1-3,11H2.
What are the key properties of 3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile?
3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile has a molecular weight of 193.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile is sourced from PubChem (CID 103525977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).