2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine

C10H22N4O2S — CID 136700148

IUPAC2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCCN(CC)S(C)(=O)=O
InChIInChI=1S/C10H22N4O2S/c1-4-7-12-10(11)13-8-6-9-14(5-2)17(3,15)16/h4H,1,5-9H2,2-3H3,(H3,11,12,13)
InChIKeyFSZXNQGXAXWZFE-UHFFFAOYSA-N
MW262.38 g/mol
LogP-0.25
Rot. Bonds8

About 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine

2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine (PubChem CID 136700148) has the molecular formula C10H22N4O2S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine
PubChem CID136700148
Molecular FormulaC10H22N4O2S
Molecular Weight262.38 g/mol
Exact Mass262.15
IUPAC Name2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCCN(CC)S(C)(=O)=O
InChIInChI=1S/C10H22N4O2S/c1-4-7-12-10(11)13-8-6-9-14(5-2)17(3,15)16/h4H,1,5-9H2,2-3H3,(H3,11,12,13)
InChIKeyFSZXNQGXAXWZFE-UHFFFAOYSA-N
XLogP-0.25
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine?
The IUPAC name of 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine (CID 136700148) is 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine.
What is the SMILES notation for 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine?
The canonical SMILES for 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine is C=CCN/C(N)=N/CCCN(CC)S(C)(=O)=O.
What is the InChIKey of 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine?
The InChIKey is FSZXNQGXAXWZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2S/c1-4-7-12-10(11)13-8-6-9-14(5-2)17(3,15)16/h4H,1,5-9H2,2-3H3,(H3,11,12,13).
What are the key properties of 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine?
2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine has a molecular weight of 262.38 g/mol, XLogP of -0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine is sourced from PubChem (CID 136700148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).