3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile

C15H21N5S — CID 103425718

IUPAC3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile
SMILESCC1CCCCN1CCCNc1sc(C#N)c(N)c1C#N
InChIInChI=1S/C15H21N5S/c1-11-5-2-3-7-20(11)8-4-6-19-15-12(9-16)14(18)13(10-17)21-15/h11,19H,2-8,18H2,1H3
InChIKeyGRIXGNAPBVBBKQ-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.75
Rot. Bonds5

About 3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile

3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile (PubChem CID 103425718) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile
PubChem CID103425718
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile
SMILESCC1CCCCN1CCCNc1sc(C#N)c(N)c1C#N
InChIInChI=1S/C15H21N5S/c1-11-5-2-3-7-20(11)8-4-6-19-15-12(9-16)14(18)13(10-17)21-15/h11,19H,2-8,18H2,1H3
InChIKeyGRIXGNAPBVBBKQ-UHFFFAOYSA-N
XLogP2.75
TPSA88.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile
CID 103426993
5-chloro-2-[3-(2-methylpiperidin-1-yl)propylamino]benzonitrile
CID 62494322
3-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]benzonitrile
CID 82797715
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine
CID 114209368
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 65271137
3-chloro-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]benzonitrile
CID 102663857
1-[2-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]phenyl]ethanone
CID 104612210
2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 119834613
6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
CID 80785894

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile (CID 103425718) is 3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile is CC1CCCCN1CCCNc1sc(C#N)c(N)c1C#N.
What is the InChIKey of 3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile?
The InChIKey is GRIXGNAPBVBBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-11-5-2-3-7-20(11)8-4-6-19-15-12(9-16)14(18)13(10-17)21-15/h11,19H,2-8,18H2,1H3.
What are the key properties of 3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile?
3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile has a molecular weight of 303.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 103425718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).