2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine

C11H17N5S — CID 42914743

IUPAC2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccc(N2CCCCC2)s1
InChIInChI=1S/C11H17N5S/c12-11(13)15-14-8-9-4-5-10(17-9)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H4,12,13,15)/b14-8+
InChIKeyRNMRORUYGNOFLX-RIYZIHGNSA-N
MW251.36 g/mol
LogP1.35
Rot. Bonds3

About 2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine

2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine (PubChem CID 42914743) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine
PubChem CID42914743
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccc(N2CCCCC2)s1
InChIInChI=1S/C11H17N5S/c12-11(13)15-14-8-9-4-5-10(17-9)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H4,12,13,15)/b14-8+
InChIKeyRNMRORUYGNOFLX-RIYZIHGNSA-N
XLogP1.35
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9060165
2-[[5-(dimethylamino)thiophen-2-yl]methylideneamino]guanidine
CID 76872427
3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9460693
2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 9359487
4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 8983107
1-(3,4-dimethoxyphenyl)-3-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]thiourea
CID 7956132
N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]quinolin-2-amine
CID 6217577
(E)-2-cyano-3-(5-piperidin-1-ylthiophen-2-yl)prop-2-enoic acid
CID 43170000
2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
CID 8975880
2-(4-chlorophenoxy)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
CID 9358609
2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine
CID 168591057
1-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 7934391

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine (CID 42914743) is 2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine is NC(N)=N/N=C/c1ccc(N2CCCCC2)s1.
What is the InChIKey of 2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine?
The InChIKey is RNMRORUYGNOFLX-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H17N5S/c12-11(13)15-14-8-9-4-5-10(17-9)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H4,12,13,15)/b14-8+.
What are the key properties of 2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine?
2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine has a molecular weight of 251.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine is sourced from PubChem (CID 42914743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).