2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide

C10H25IN4O3S — CID 110917859

IUPAC2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCCN(CCC/N=C(\N)NCCOC)S(C)(=O)=O.I
InChIInChI=1S/C10H24N4O3S.HI/c1-4-14(18(3,15)16)8-5-6-12-10(11)13-7-9-17-2;/h4-9H2,1-3H3,(H3,11,12,13);1H
InChIKeyIMCULPIUOABVRD-UHFFFAOYSA-N
MW408.31 g/mol
LogP-0.17
Rot. Bonds9

About 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide

2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide (PubChem CID 110917859) has the molecular formula C10H25IN4O3S and a molecular weight of 408.31 g/mol. Its IUPAC name is 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
PubChem CID110917859
Molecular FormulaC10H25IN4O3S
Molecular Weight408.31 g/mol
Exact Mass408.07
IUPAC Name2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCCN(CCC/N=C(\N)NCCOC)S(C)(=O)=O.I
InChIInChI=1S/C10H24N4O3S.HI/c1-4-14(18(3,15)16)8-5-6-12-10(11)13-7-9-17-2;/h4-9H2,1-3H3,(H3,11,12,13);1H
InChIKeyIMCULPIUOABVRD-UHFFFAOYSA-N
XLogP-0.17
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
CID 62363760
2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111076283
2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine
CID 136700148
1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110942737
1,3-diethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine;hydroiodide
CID 110917855
1-butyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine;hydroiodide
CID 111066546
1,3-diethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
CID 110917856
(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide
CID 122382582
1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide
CID 110925122
2-[(3,4-dimethoxyphenyl)methyl]-1-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
CID 111076263
1-(4-ethoxybutyl)-3-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine;hydroiodide
CID 111946214
1-(3,4-dimethylphenyl)-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
CID 111076217

Frequently Asked Questions

What is the IUPAC name of 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The IUPAC name of 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide (CID 110917859) is 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide is CCN(CCC/N=C(\N)NCCOC)S(C)(=O)=O.I.
What is the InChIKey of 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The InChIKey is IMCULPIUOABVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O3S.HI/c1-4-14(18(3,15)16)8-5-6-12-10(11)13-7-9-17-2;/h4-9H2,1-3H3,(H3,11,12,13);1H.
What are the key properties of 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide has a molecular weight of 408.31 g/mol, XLogP of -0.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 110917859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).