1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine

C10H24N4O2S — CID 110967190

IUPAC1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine
SMILESCCN/C(=N\CCNS(C)(=O)=O)NC(C)(C)C
InChIInChI=1S/C10H24N4O2S/c1-6-11-9(14-10(2,3)4)12-7-8-13-17(5,15)16/h13H,6-8H2,1-5H3,(H2,11,12,14)
InChIKeyYUAMCYRFAGCNEH-UHFFFAOYSA-N
MW264.39 g/mol
LogP-0.11
Rot. Bonds5

About 1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine

1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine (PubChem CID 110967190) has the molecular formula C10H24N4O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine
PubChem CID110967190
Molecular FormulaC10H24N4O2S
Molecular Weight264.39 g/mol
Exact Mass264.16
IUPAC Name1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine
SMILESCCN/C(=N\CCNS(C)(=O)=O)NC(C)(C)C
InChIInChI=1S/C10H24N4O2S/c1-6-11-9(14-10(2,3)4)12-7-8-13-17(5,15)16/h13H,6-8H2,1-5H3,(H2,11,12,14)
InChIKeyYUAMCYRFAGCNEH-UHFFFAOYSA-N
XLogP-0.11
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 5-0.11
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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Related Compounds

1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 110967375
1-tert-butyl-3-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 110964568
1-tert-butyl-3-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
CID 110967286
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111248898
1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
CID 110965781
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-prop-2-ynylguanidine
CID 136922175
1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 110979354
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-(2-methylsulfanylethyl)guanidine
CID 111343741
1-[1-(2-bromophenyl)ethyl]-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111322221
1-[1-(2-chlorophenyl)ethyl]-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111319541
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide
CID 111385956
1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine
CID 110944266

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine?
The IUPAC name of 1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine (CID 110967190) is 1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine.
What is the SMILES notation for 1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine?
The canonical SMILES for 1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine is CCN/C(=N\CCNS(C)(=O)=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine?
The InChIKey is YUAMCYRFAGCNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O2S/c1-6-11-9(14-10(2,3)4)12-7-8-13-17(5,15)16/h13H,6-8H2,1-5H3,(H2,11,12,14).
What are the key properties of 1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine?
1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine has a molecular weight of 264.39 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine is sourced from PubChem (CID 110967190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).