1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine

C11H26N4O2S — CID 110944266

IUPAC1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine
SMILESCCN/C(=N\CCCNS(C)(=O)=O)NC(C)CC
InChIInChI=1S/C11H26N4O2S/c1-5-10(3)15-11(12-6-2)13-8-7-9-14-18(4,16)17/h10,14H,5-9H2,1-4H3,(H2,12,13,15)
InChIKeyIULWIXOICIWZKD-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.28
Rot. Bonds8

About 1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine

1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine (PubChem CID 110944266) has the molecular formula C11H26N4O2S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine.

Molecular Properties

Compound Name1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine
PubChem CID110944266
Molecular FormulaC11H26N4O2S
Molecular Weight278.42 g/mol
Exact Mass278.18
IUPAC Name1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine
SMILESCCN/C(=N\CCCNS(C)(=O)=O)NC(C)CC
InChIInChI=1S/C11H26N4O2S/c1-5-10(3)15-11(12-6-2)13-8-7-9-14-18(4,16)17/h10,14H,5-9H2,1-4H3,(H2,12,13,15)
InChIKeyIULWIXOICIWZKD-UHFFFAOYSA-N
XLogP0.28
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.28
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'}

Analyze 1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-[3-(methanesulfonamido)propyl]-3-(2-methylsulfanylethyl)guanidine
CID 111343741
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-propan-2-ylguanidine
CID 111127023
1-butan-2-yl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide
CID 110944263
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-prop-2-ynylguanidine
CID 136922175
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-[1-[4-(2-methylpropyl)phenyl]ethyl]guanidine
CID 111298603
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide
CID 111385956
1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine
CID 111717090
1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110944617
1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide
CID 111204921
1-butan-2-yl-3-ethyl-2-[3-(2-methylpropoxy)propyl]guanidine
CID 110945780
1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine
CID 111233665
1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 110979354

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine?
The IUPAC name of 1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine (CID 110944266) is 1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine.
What is the SMILES notation for 1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine?
The canonical SMILES for 1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine is CCN/C(=N\CCCNS(C)(=O)=O)NC(C)CC.
What is the InChIKey of 1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine?
The InChIKey is IULWIXOICIWZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O2S/c1-5-10(3)15-11(12-6-2)13-8-7-9-14-18(4,16)17/h10,14H,5-9H2,1-4H3,(H2,12,13,15).
What are the key properties of 1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine?
1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine has a molecular weight of 278.42 g/mol, XLogP of 0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine is sourced from PubChem (CID 110944266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).