2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide

C10H25IN4O2S — CID 111110801

IUPAC2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide
SMILESCC(C)CN/C(N)=N/CC(C)(C)NS(C)(=O)=O.I
InChIInChI=1S/C10H24N4O2S.HI/c1-8(2)6-12-9(11)13-7-10(3,4)14-17(5,15)16;/h8,14H,6-7H2,1-5H3,(H3,11,12,13);1H
InChIKeyQYGXCSLEJKTXBE-UHFFFAOYSA-N
MW392.31 g/mol
LogP0.49
Rot. Bonds6

About 2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide

2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 111110801) has the molecular formula C10H25IN4O2S and a molecular weight of 392.31 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide
PubChem CID111110801
Molecular FormulaC10H25IN4O2S
Molecular Weight392.31 g/mol
Exact Mass392.07
IUPAC Name2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide
SMILESCC(C)CN/C(N)=N/CC(C)(C)NS(C)(=O)=O.I
InChIInChI=1S/C10H24N4O2S.HI/c1-8(2)6-12-9(11)13-7-10(3,4)14-17(5,15)16;/h8,14H,6-7H2,1-5H3,(H3,11,12,13);1H
InChIKeyQYGXCSLEJKTXBE-UHFFFAOYSA-N
XLogP0.49
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 50.49
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide (CID 111110801) is 2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide is CC(C)CN/C(N)=N/CC(C)(C)NS(C)(=O)=O.I.
What is the InChIKey of 2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is QYGXCSLEJKTXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O2S.HI/c1-8(2)6-12-9(11)13-7-10(3,4)14-17(5,15)16;/h8,14H,6-7H2,1-5H3,(H3,11,12,13);1H.
What are the key properties of 2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide?
2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 392.31 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111110801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).