2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide

C12H19IN4S — CID 120605860

IUPAC2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCSC1(C/N=C(\N)Nc2ccccn2)CCC1.I
InChIInChI=1S/C12H18N4S.HI/c1-17-12(6-4-7-12)9-15-11(13)16-10-5-2-3-8-14-10;/h2-3,5,8H,4,6-7,9H2,1H3,(H3,13,14,15,16);1H
InChIKeyWBSIEMNOQRWLQP-UHFFFAOYSA-N
MW378.28 g/mol
LogP2.71
Rot. Bonds4

About 2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide

2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide (PubChem CID 120605860) has the molecular formula C12H19IN4S and a molecular weight of 378.28 g/mol. Its IUPAC name is 2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
PubChem CID120605860
Molecular FormulaC12H19IN4S
Molecular Weight378.28 g/mol
Exact Mass378.04
IUPAC Name2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCSC1(C/N=C(\N)Nc2ccccn2)CCC1.I
InChIInChI=1S/C12H18N4S.HI/c1-17-12(6-4-7-12)9-15-11(13)16-10-5-2-3-8-14-10;/h2-3,5,8H,4,6-7,9H2,1H3,(H3,13,14,15,16);1H
InChIKeyWBSIEMNOQRWLQP-UHFFFAOYSA-N
XLogP2.71
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(1-hydroxycyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119146788
2-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119149339
2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119117281
2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605953
2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine
CID 120581767
2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
CID 119120271
1-pyridin-2-yl-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]guanidine;hydroiodide
CID 119148354
2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120762620
2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120558132
1-tert-butyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine;hydroiodide
CID 120605845
2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
CID 119934704
1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 119147612

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide (CID 120605860) is 2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide is CSC1(C/N=C(\N)Nc2ccccn2)CCC1.I.
What is the InChIKey of 2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The InChIKey is WBSIEMNOQRWLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S.HI/c1-17-12(6-4-7-12)9-15-11(13)16-10-5-2-3-8-14-10;/h2-3,5,8H,4,6-7,9H2,1H3,(H3,13,14,15,16);1H.
What are the key properties of 2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide has a molecular weight of 378.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide is sourced from PubChem (CID 120605860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).