2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide

C11H18IN3S — CID 111465730

IUPAC2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide
SMILESC/N=C(\N)NCC(C)Sc1ccccc1.I
InChIInChI=1S/C11H17N3S.HI/c1-9(8-14-11(12)13-2)15-10-6-4-3-5-7-10;/h3-7,9H,8H2,1-2H3,(H3,12,13,14);1H
InChIKeyNAWFWHCQKXGGFC-UHFFFAOYSA-N
MW351.26 g/mol
LogP2.32
Rot. Bonds4

About 2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide

2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide (PubChem CID 111465730) has the molecular formula C11H18IN3S and a molecular weight of 351.26 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide
PubChem CID111465730
Molecular FormulaC11H18IN3S
Molecular Weight351.26 g/mol
Exact Mass351.03
IUPAC Name2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide
SMILESC/N=C(\N)NCC(C)Sc1ccccc1.I
InChIInChI=1S/C11H17N3S.HI/c1-9(8-14-11(12)13-2)15-10-6-4-3-5-7-10;/h3-7,9H,8H2,1-2H3,(H3,12,13,14);1H
InChIKeyNAWFWHCQKXGGFC-UHFFFAOYSA-N
XLogP2.32
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-phenylsulfanylpropyl)-3-propylguanidine
CID 111496120
1-butyl-2-methyl-3-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111496077
1-(cyclopropylmethyl)-2-methyl-3-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111677339
(2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride
CID 119335478
2,2-dimethyl-N'-[(2S)-2-phenylsulfanylpropyl]propanediamide
CID 100665662
1-(2-cyclopropylethyl)-2-methyl-3-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111986414
2-methyl-1-(2-phenylsulfanylpropyl)-3-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 111496127
2-(2-phenylsulfanylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 119186686
2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide
CID 71994113
2-methyl-1-(2-phenylsulfanylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111676611
2-methyl-1-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(2-phenylsulfanylpropyl)guanidine
CID 111677564
2-methyl-1-(2-phenylsulfanylpropyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111496099

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide (CID 111465730) is 2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide is C/N=C(\N)NCC(C)Sc1ccccc1.I.
What is the InChIKey of 2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide?
The InChIKey is NAWFWHCQKXGGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S.HI/c1-9(8-14-11(12)13-2)15-10-6-4-3-5-7-10;/h3-7,9H,8H2,1-2H3,(H3,12,13,14);1H.
What are the key properties of 2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide?
2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide has a molecular weight of 351.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111465730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).