2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine

C11H26N4O3S — CID 111076283

IUPAC2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine
SMILESCCN(CCC/N=C(\N)NC(C)COC)S(C)(=O)=O
InChIInChI=1S/C11H26N4O3S/c1-5-15(19(4,16)17)8-6-7-13-11(12)14-10(2)9-18-3/h10H,5-9H2,1-4H3,(H3,12,13,14)
InChIKeyAALSVRQTKVUONC-UHFFFAOYSA-N
MW294.42 g/mol
LogP-0.40
Rot. Bonds9

About 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine

2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine (PubChem CID 111076283) has the molecular formula C11H26N4O3S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine
PubChem CID111076283
Molecular FormulaC11H26N4O3S
Molecular Weight294.42 g/mol
Exact Mass294.17
IUPAC Name2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine
SMILESCCN(CCC/N=C(\N)NC(C)COC)S(C)(=O)=O
InChIInChI=1S/C11H26N4O3S/c1-5-15(19(4,16)17)8-6-7-13-11(12)14-10(2)9-18-3/h10H,5-9H2,1-4H3,(H3,12,13,14)
InChIKeyAALSVRQTKVUONC-UHFFFAOYSA-N
XLogP-0.40
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 5-0.40
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'}

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Related Compounds

2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110917859
1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
CID 62363760
2-[2-[ethyl(propyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111600579
ethyl 4-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]butanoate
CID 111025672
2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine
CID 136700148
2-[2-[butan-2-yl(methyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111096379
1-(1-methoxypropan-2-yl)-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111769816
2-(2-tert-butylsulfonylethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111812151
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111096550
2-(2-tert-butylsulfinylethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111811447
2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111062793
1,3-diethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
CID 110917856

Frequently Asked Questions

What is the IUPAC name of 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine (CID 111076283) is 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine is CCN(CCC/N=C(\N)NC(C)COC)S(C)(=O)=O.
What is the InChIKey of 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine?
The InChIKey is AALSVRQTKVUONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O3S/c1-5-15(19(4,16)17)8-6-7-13-11(12)14-10(2)9-18-3/h10H,5-9H2,1-4H3,(H3,12,13,14).
What are the key properties of 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine?
2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine has a molecular weight of 294.42 g/mol, XLogP of -0.40, 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-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 111076283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).