1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine

C15H22N4O2S — CID 111501079

IUPAC1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine
SMILESC/N=C(/NCCN1C(=O)CCCC1=O)NC(C)c1cccs1
InChIInChI=1S/C15H22N4O2S/c1-11(12-5-4-10-22-12)18-15(16-2)17-8-9-19-13(20)6-3-7-14(19)21/h4-5,10-11H,3,6-9H2,1-2H3,(H2,16,17,18)
InChIKeyRJLOFIRLZFAMHM-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.51
Rot. Bonds5

About 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine

1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine (PubChem CID 111501079) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine
PubChem CID111501079
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine
SMILESC/N=C(/NCCN1C(=O)CCCC1=O)NC(C)c1cccs1
InChIInChI=1S/C15H22N4O2S/c1-11(12-5-4-10-22-12)18-15(16-2)17-8-9-19-13(20)6-3-7-14(19)21/h4-5,10-11H,3,6-9H2,1-2H3,(H2,16,17,18)
InChIKeyRJLOFIRLZFAMHM-UHFFFAOYSA-N
XLogP1.51
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.51
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': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine
CID 75420963
2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
CID 75420962
1-[1-(2-bromophenyl)ethyl]-3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methylguanidine
CID 111500991
(2R)-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-thiophen-2-ylpropanamide
CID 95905607
1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine
CID 111331024
1-[2-(2-oxoazepan-1-yl)ethyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 94161198
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111516314
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111500338
2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111798457
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine
CID 111500843
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine
CID 111501569
1-[2-(2,3-difluorophenyl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111566702

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine (CID 111501079) is 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine is C/N=C(/NCCN1C(=O)CCCC1=O)NC(C)c1cccs1.
What is the InChIKey of 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine?
The InChIKey is RJLOFIRLZFAMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11(12-5-4-10-22-12)18-15(16-2)17-8-9-19-13(20)6-3-7-14(19)21/h4-5,10-11H,3,6-9H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine?
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine has a molecular weight of 322.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111501079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).