1-[2-(methanesulfonamido)ethyl]-2-propylguanidine

C7H18N4O2S — CID 62363298

IUPAC1-[2-(methanesulfonamido)ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCNS(C)(=O)=O
InChIInChI=1S/C7H18N4O2S/c1-3-4-9-7(8)10-5-6-11-14(2,12)13/h11H,3-6H2,1-2H3,(H3,8,9,10)
InChIKeyFGRYFSRHZGVVEI-UHFFFAOYSA-N
MW222.31 g/mol
LogP-1.15
Rot. Bonds6

About 1-[2-(methanesulfonamido)ethyl]-2-propylguanidine

1-[2-(methanesulfonamido)ethyl]-2-propylguanidine (PubChem CID 62363298) has the molecular formula C7H18N4O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)ethyl]-2-propylguanidine
PubChem CID62363298
Molecular FormulaC7H18N4O2S
Molecular Weight222.31 g/mol
Exact Mass222.12
IUPAC Name1-[2-(methanesulfonamido)ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCNS(C)(=O)=O
InChIInChI=1S/C7H18N4O2S/c1-3-4-9-7(8)10-5-6-11-14(2,12)13/h11H,3-6H2,1-2H3,(H3,8,9,10)
InChIKeyFGRYFSRHZGVVEI-UHFFFAOYSA-N
XLogP-1.15
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-1.15
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)ethyl]-2-propylguanidine?
The IUPAC name of 1-[2-(methanesulfonamido)ethyl]-2-propylguanidine (CID 62363298) is 1-[2-(methanesulfonamido)ethyl]-2-propylguanidine.
What is the SMILES notation for 1-[2-(methanesulfonamido)ethyl]-2-propylguanidine?
The canonical SMILES for 1-[2-(methanesulfonamido)ethyl]-2-propylguanidine is CCC/N=C(\N)NCCNS(C)(=O)=O.
What is the InChIKey of 1-[2-(methanesulfonamido)ethyl]-2-propylguanidine?
The InChIKey is FGRYFSRHZGVVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O2S/c1-3-4-9-7(8)10-5-6-11-14(2,12)13/h11H,3-6H2,1-2H3,(H3,8,9,10).
What are the key properties of 1-[2-(methanesulfonamido)ethyl]-2-propylguanidine?
1-[2-(methanesulfonamido)ethyl]-2-propylguanidine has a molecular weight of 222.31 g/mol, XLogP of -1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)ethyl]-2-propylguanidine is sourced from PubChem (CID 62363298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).