1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide

C10H25IN4O2S — CID 110944263

IUPAC1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide
SMILESCCC(C)N/C(=N\C)NCCCNS(C)(=O)=O.I
InChIInChI=1S/C10H24N4O2S.HI/c1-5-9(2)14-10(11-3)12-7-6-8-13-17(4,15)16;/h9,13H,5-8H2,1-4H3,(H2,11,12,14);1H
InChIKeyYYFCMESNDHCZGH-UHFFFAOYSA-N
MW392.31 g/mol
LogP0.51
Rot. Bonds7

About 1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide

1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide (PubChem CID 110944263) has the molecular formula C10H25IN4O2S and a molecular weight of 392.31 g/mol. Its IUPAC name is 1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide
PubChem CID110944263
Molecular FormulaC10H25IN4O2S
Molecular Weight392.31 g/mol
Exact Mass392.07
IUPAC Name1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide
SMILESCCC(C)N/C(=N\C)NCCCNS(C)(=O)=O.I
InChIInChI=1S/C10H24N4O2S.HI/c1-5-9(2)14-10(11-3)12-7-6-8-13-17(4,15)16;/h9,13H,5-8H2,1-4H3,(H2,11,12,14);1H
InChIKeyYYFCMESNDHCZGH-UHFFFAOYSA-N
XLogP0.51
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-cyclohexylbutan-2-yl)-3-[3-(methanesulfonamido)propyl]-2-methylguanidine
CID 109482667
1-[3-(methanesulfonamido)propyl]-2-methyl-3-(7-methyloctyl)guanidine;hydroiodide
CID 111204891
1-[2-[di(propan-2-yl)amino]ethyl]-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide
CID 111248738
1-[3-(ethylsulfonylamino)propyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111173843
1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine
CID 110944266
1-butan-2-yl-3-hexyl-2-methylguanidine
CID 110944622
1-butan-2-yl-2-methyl-3-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111492005
1-[3-(methanesulfonamido)propyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine
CID 111628178
1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide
CID 110946325
1-(4-ethoxybutyl)-3-[3-(methanesulfonamido)propyl]-2-methylguanidine
CID 111946189
1-ethyl-3-[3-(methanesulfonamido)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111179938
1-butan-2-yl-3-(3-butoxypropyl)-2-methylguanidine
CID 110944688

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide (CID 110944263) is 1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide is CCC(C)N/C(=N\C)NCCCNS(C)(=O)=O.I.
What is the InChIKey of 1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide?
The InChIKey is YYFCMESNDHCZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O2S.HI/c1-5-9(2)14-10(11-3)12-7-6-8-13-17(4,15)16;/h9,13H,5-8H2,1-4H3,(H2,11,12,14);1H.
What are the key properties of 1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide?
1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide has a molecular weight of 392.31 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110944263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).