2-(2-methyl-2-methylsulfonylpropyl)-1-propylguanidine;hydroiodide

C9H22IN3O2S — CID 111696158

IUPAC2-(2-methyl-2-methylsulfonylpropyl)-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/CC(C)(C)S(C)(=O)=O.I
InChIInChI=1S/C9H21N3O2S.HI/c1-5-6-11-8(10)12-7-9(2,3)15(4,13)14;/h5-7H2,1-4H3,(H3,10,11,12);1H
InChIKeyGRWOPRXIZDBZGF-UHFFFAOYSA-N
MW363.27 g/mol
LogP0.74
Rot. Bonds5

About 2-(2-methyl-2-methylsulfonylpropyl)-1-propylguanidine;hydroiodide

2-(2-methyl-2-methylsulfonylpropyl)-1-propylguanidine;hydroiodide (PubChem CID 111696158) has the molecular formula C9H22IN3O2S and a molecular weight of 363.27 g/mol. Its IUPAC name is 2-(2-methyl-2-methylsulfonylpropyl)-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methyl-2-methylsulfonylpropyl)-1-propylguanidine;hydroiodide
PubChem CID111696158
Molecular FormulaC9H22IN3O2S
Molecular Weight363.27 g/mol
Exact Mass363.05
IUPAC Name2-(2-methyl-2-methylsulfonylpropyl)-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/CC(C)(C)S(C)(=O)=O.I
InChIInChI=1S/C9H21N3O2S.HI/c1-5-6-11-8(10)12-7-9(2,3)15(4,13)14;/h5-7H2,1-4H3,(H3,10,11,12);1H
InChIKeyGRWOPRXIZDBZGF-UHFFFAOYSA-N
XLogP0.74
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.27
LogP ≤ 50.74
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-(2,2-dimethylpropyl)-1-propylguanidine
CID 62361794
2-(2-methyl-2-methylsulfonylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111752129
1-propyl-2-(2,2,4-trimethylpentyl)guanidine;hydroiodide
CID 111911367
1-(2,6-diethylphenyl)-2-(2-methyl-2-methylsulfonylpropyl)guanidine
CID 111752106
2-[(1-methylsulfonylcyclopropyl)methyl]-1-propylguanidine
CID 120662788
1-(2-methyl-2-methylsulfonylpropyl)-3-propylthiourea
CID 115675105
1-ethyl-2-(2-methyl-2-methylsulfonylpropyl)-3-propan-2-ylguanidine;hydroiodide
CID 111966846
2-butyl-1-(2-tert-butylsulfonylethyl)guanidine;hydroiodide
CID 111573966
2-[[amino(propylamino)methylidene]amino]acetic acid
CID 87703719
1-ethyl-2-(2-methyl-2-methylsulfonylpropyl)-3-(2-methylpropyl)guanidine
CID 111967005
2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111110801
2-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-propylguanidine
CID 111805182

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-methylsulfonylpropyl)-1-propylguanidine;hydroiodide?
The IUPAC name of 2-(2-methyl-2-methylsulfonylpropyl)-1-propylguanidine;hydroiodide (CID 111696158) is 2-(2-methyl-2-methylsulfonylpropyl)-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-(2-methyl-2-methylsulfonylpropyl)-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-(2-methyl-2-methylsulfonylpropyl)-1-propylguanidine;hydroiodide is CCCN/C(N)=N/CC(C)(C)S(C)(=O)=O.I.
What is the InChIKey of 2-(2-methyl-2-methylsulfonylpropyl)-1-propylguanidine;hydroiodide?
The InChIKey is GRWOPRXIZDBZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S.HI/c1-5-6-11-8(10)12-7-9(2,3)15(4,13)14;/h5-7H2,1-4H3,(H3,10,11,12);1H.
What are the key properties of 2-(2-methyl-2-methylsulfonylpropyl)-1-propylguanidine;hydroiodide?
2-(2-methyl-2-methylsulfonylpropyl)-1-propylguanidine;hydroiodide has a molecular weight of 363.27 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-methylsulfonylpropyl)-1-propylguanidine;hydroiodide is sourced from PubChem (CID 111696158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).