2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide

C14H25IN4O3S2 — CID 111228132

IUPAC2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCc1ccc(S(=O)(=O)N2CCOCC2)s1.I
InChIInChI=1S/C14H24N4O3S2.HI/c1-3-6-16-14(15-2)17-11-12-4-5-13(22-12)23(19,20)18-7-9-21-10-8-18;/h4-5H,3,6-11H2,1-2H3,(H2,15,16,17);1H
InChIKeyFRLGEERGVPRUBA-UHFFFAOYSA-N
MW488.42 g/mol
LogP1.46
Rot. Bonds6

About 2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide

2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide (PubChem CID 111228132) has the molecular formula C14H25IN4O3S2 and a molecular weight of 488.42 g/mol. Its IUPAC name is 2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide
PubChem CID111228132
Molecular FormulaC14H25IN4O3S2
Molecular Weight488.42 g/mol
Exact Mass488.04
IUPAC Name2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCc1ccc(S(=O)(=O)N2CCOCC2)s1.I
InChIInChI=1S/C14H24N4O3S2.HI/c1-3-6-16-14(15-2)17-11-12-4-5-13(22-12)23(19,20)18-7-9-21-10-8-18;/h4-5H,3,6-11H2,1-2H3,(H2,15,16,17);1H
InChIKeyFRLGEERGVPRUBA-UHFFFAOYSA-N
XLogP1.46
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(5-methylhexyl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 111579597
2-methyl-1-(4-methylcyclohexyl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111256900
1-(furan-2-ylmethyl)-2-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 119114490
2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-octan-2-ylguanidine
CID 111212883
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
1-butyl-3-ethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111149517
1-(cyclopropylmethyl)-2-methyl-3-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111867815
2-methyl-1-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-propylguanidine
CID 111228137
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 111228953
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 109468961
1-butan-2-yl-2-methyl-3-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 110944016
2-methyl-1-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191465

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide (CID 111228132) is 2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide is CCCN/C(=N\C)NCc1ccc(S(=O)(=O)N2CCOCC2)s1.I.
What is the InChIKey of 2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide?
The InChIKey is FRLGEERGVPRUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S2.HI/c1-3-6-16-14(15-2)17-11-12-4-5-13(22-12)23(19,20)18-7-9-21-10-8-18;/h4-5H,3,6-11H2,1-2H3,(H2,15,16,17);1H.
What are the key properties of 2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide?
2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide has a molecular weight of 488.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide is sourced from PubChem (CID 111228132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).