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

C9H11N3S — CID 103424676

IUPAC3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile
SMILESN#Cc1sc(NCC2CC2)cc1N
InChIInChI=1S/C9H11N3S/c10-4-8-7(11)3-9(13-8)12-5-6-1-2-6/h3,6,12H,1-2,5,11H2
InChIKeyRMAGLDRKDQATBL-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.02
Rot. Bonds3

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

3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile (PubChem CID 103424676) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile
PubChem CID103424676
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile
SMILESN#Cc1sc(NCC2CC2)cc1N
InChIInChI=1S/C9H11N3S/c10-4-8-7(11)3-9(13-8)12-5-6-1-2-6/h3,6,12H,1-2,5,11H2
InChIKeyRMAGLDRKDQATBL-UHFFFAOYSA-N
XLogP2.02
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile (CID 103424676) is 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile is N#Cc1sc(NCC2CC2)cc1N.
What is the InChIKey of 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile?
The InChIKey is RMAGLDRKDQATBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c10-4-8-7(11)3-9(13-8)12-5-6-1-2-6/h3,6,12H,1-2,5,11H2.
What are the key properties of 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile?
3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile has a molecular weight of 193.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile is sourced from PubChem (CID 103424676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).