2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide

C14H25IN4O2S2 — CID 111038588

IUPAC2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/Cc1ccc(S(=O)(=O)N2CCCCC2)s1.I
InChIInChI=1S/C14H24N4O2S2.HI/c1-11(2)17-14(15)16-10-12-6-7-13(21-12)22(19,20)18-8-4-3-5-9-18;/h6-7,11H,3-5,8-10H2,1-2H3,(H3,15,16,17);1H
InChIKeyBYVQIOGZDZIJMO-UHFFFAOYSA-N
MW472.42 g/mol
LogP2.35
Rot. Bonds5

About 2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide

2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide (PubChem CID 111038588) has the molecular formula C14H25IN4O2S2 and a molecular weight of 472.42 g/mol. Its IUPAC name is 2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
PubChem CID111038588
Molecular FormulaC14H25IN4O2S2
Molecular Weight472.42 g/mol
Exact Mass472.05
IUPAC Name2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/Cc1ccc(S(=O)(=O)N2CCCCC2)s1.I
InChIInChI=1S/C14H24N4O2S2.HI/c1-11(2)17-14(15)16-10-12-6-7-13(21-12)22(19,20)18-8-4-3-5-9-18;/h6-7,11H,3-5,8-10H2,1-2H3,(H3,15,16,17);1H
InChIKeyBYVQIOGZDZIJMO-UHFFFAOYSA-N
XLogP2.35
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 52.35
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 111038573
1,1-dimethyl-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 100673370
1-butan-2-yl-3-ethyl-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 110944017
4-methyl-N'-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110920625
1-ethyl-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide
CID 111227506
1-butyl-3-ethyl-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111149835
1-ethyl-3-pentyl-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 111128601
1-(3,4-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111064253
1-butan-2-yl-2-methyl-3-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 110944016
N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 119497975
1-butyl-3-ethyl-1-methyl-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 111158401
N-[1-(4-chlorophenyl)ethyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55336038

Frequently Asked Questions

What is the IUPAC name of 2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide (CID 111038588) is 2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide is CC(C)N/C(N)=N/Cc1ccc(S(=O)(=O)N2CCCCC2)s1.I.
What is the InChIKey of 2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide?
The InChIKey is BYVQIOGZDZIJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S2.HI/c1-11(2)17-14(15)16-10-12-6-7-13(21-12)22(19,20)18-8-4-3-5-9-18;/h6-7,11H,3-5,8-10H2,1-2H3,(H3,15,16,17);1H.
What are the key properties of 2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide?
2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide has a molecular weight of 472.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111038588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).