3-amino-5-(3,3-dimethylpiperidin-1-yl)thiophene-2-carbonitrile

C12H17N3S — CID 103422568

IUPAC3-amino-5-(3,3-dimethylpiperidin-1-yl)thiophene-2-carbonitrile
SMILESCC1(C)CCCN(c2cc(N)c(C#N)s2)C1
InChIInChI=1S/C12H17N3S/c1-12(2)4-3-5-15(8-12)11-6-9(14)10(7-13)16-11/h6H,3-5,8,14H2,1-2H3
InChIKeyFMIWGVKFBWEXTB-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.83
Rot. Bonds1

About 3-amino-5-(3,3-dimethylpiperidin-1-yl)thiophene-2-carbonitrile

3-amino-5-(3,3-dimethylpiperidin-1-yl)thiophene-2-carbonitrile (PubChem CID 103422568) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 3-amino-5-(3,3-dimethylpiperidin-1-yl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(3,3-dimethylpiperidin-1-yl)thiophene-2-carbonitrile
PubChem CID103422568
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name3-amino-5-(3,3-dimethylpiperidin-1-yl)thiophene-2-carbonitrile
SMILESCC1(C)CCCN(c2cc(N)c(C#N)s2)C1
InChIInChI=1S/C12H17N3S/c1-12(2)4-3-5-15(8-12)11-6-9(14)10(7-13)16-11/h6H,3-5,8,14H2,1-2H3
InChIKeyFMIWGVKFBWEXTB-UHFFFAOYSA-N
XLogP2.83
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,3-dimethylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103363088
3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carbonitrile
CID 103421860
3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422905
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103506581
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103506550
2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine
CID 66278455
ethyl 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2-carboxylate
CID 103506587
4-amino-2-(3,3-dimethylpiperidin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103422565
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103506582
2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzonitrile
CID 78957669
4-(3,3-dimethylpiperidin-1-yl)phenol
CID 11217983
4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile
CID 112755133

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3,3-dimethylpiperidin-1-yl)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(3,3-dimethylpiperidin-1-yl)thiophene-2-carbonitrile (CID 103422568) is 3-amino-5-(3,3-dimethylpiperidin-1-yl)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(3,3-dimethylpiperidin-1-yl)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(3,3-dimethylpiperidin-1-yl)thiophene-2-carbonitrile is CC1(C)CCCN(c2cc(N)c(C#N)s2)C1.
What is the InChIKey of 3-amino-5-(3,3-dimethylpiperidin-1-yl)thiophene-2-carbonitrile?
The InChIKey is FMIWGVKFBWEXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-12(2)4-3-5-15(8-12)11-6-9(14)10(7-13)16-11/h6H,3-5,8,14H2,1-2H3.
What are the key properties of 3-amino-5-(3,3-dimethylpiperidin-1-yl)thiophene-2-carbonitrile?
3-amino-5-(3,3-dimethylpiperidin-1-yl)thiophene-2-carbonitrile has a molecular weight of 235.36 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,3-dimethylpiperidin-1-yl)thiophene-2-carbonitrile is sourced from PubChem (CID 103422568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).