1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine

C14H24N4O3S2 — CID 111064256

IUPAC1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine
SMILESCCN(CC)/C(N)=N/Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C14H24N4O3S2/c1-3-17(4-2)14(15)16-11-12-5-6-13(22-12)23(19,20)18-7-9-21-10-8-18/h5-6H,3-4,7-11H2,1-2H3,(H2,15,16)
InChIKeyRPZHIEFFLJPGCI-UHFFFAOYSA-N
MW360.51 g/mol
LogP0.93
Rot. Bonds6

About 1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine

1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine (PubChem CID 111064256) has the molecular formula C14H24N4O3S2 and a molecular weight of 360.51 g/mol. Its IUPAC name is 1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine
PubChem CID111064256
Molecular FormulaC14H24N4O3S2
Molecular Weight360.51 g/mol
Exact Mass360.13
IUPAC Name1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine
SMILESCCN(CC)/C(N)=N/Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C14H24N4O3S2/c1-3-17(4-2)14(15)16-11-12-5-6-13(22-12)23(19,20)18-7-9-21-10-8-18/h5-6H,3-4,7-11H2,1-2H3,(H2,15,16)
InChIKeyRPZHIEFFLJPGCI-UHFFFAOYSA-N
XLogP0.93
TPSA88.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethyl-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 100673370
4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110919761
1-(3,4-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111064253
1-butyl-3-ethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111149517
2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine
CID 119118993
1-ethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474912
N-ethyl-3-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111143849
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111038588
1-butyl-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 111038573
2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide
CID 111228132
4-methyl-N'-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110920625

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine?
The IUPAC name of 1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine (CID 111064256) is 1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine.
What is the SMILES notation for 1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine?
The canonical SMILES for 1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine is CCN(CC)/C(N)=N/Cc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of 1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine?
The InChIKey is RPZHIEFFLJPGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S2/c1-3-17(4-2)14(15)16-11-12-5-6-13(22-12)23(19,20)18-7-9-21-10-8-18/h5-6H,3-4,7-11H2,1-2H3,(H2,15,16).
What are the key properties of 1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine?
1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine has a molecular weight of 360.51 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine is sourced from PubChem (CID 111064256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).