1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine

C14H21FN4O2S — CID 122095877

IUPAC1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine
SMILESCN(CC/N=C(\N)NC1CCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN4O2S/c1-19(10-9-17-14(16)18-12-3-2-4-12)22(20,21)13-7-5-11(15)6-8-13/h5-8,12H,2-4,9-10H2,1H3,(H3,16,17,18)
InChIKeyLAHRLCQHWBCHNA-UHFFFAOYSA-N
MW328.41 g/mol
LogP0.90
Rot. Bonds6

About 1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine

1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine (PubChem CID 122095877) has the molecular formula C14H21FN4O2S and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine.

Molecular Properties

Compound Name1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine
PubChem CID122095877
Molecular FormulaC14H21FN4O2S
Molecular Weight328.41 g/mol
Exact Mass328.14
IUPAC Name1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine
SMILESCN(CC/N=C(\N)NC1CCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN4O2S/c1-19(10-9-17-14(16)18-12-3-2-4-12)22(20,21)13-7-5-11(15)6-8-13/h5-8,12H,2-4,9-10H2,1H3,(H3,16,17,18)
InChIKeyLAHRLCQHWBCHNA-UHFFFAOYSA-N
XLogP0.90
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine
CID 111071863
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 55517214
1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine
CID 119164154
N-(4-ethylcyclohexyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 112816434
N-(2-chloroethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 63396604
1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088217
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 124743858
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 119455910
tert-butyl 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]piperidine-1-carboxylate
CID 55984259
1-cyclohexyl-2-[2-(4-methylsulfonylphenoxy)ethyl]guanidine;hydroiodide
CID 111805015
1-cyclohexyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111043745
(2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]propanamide
CID 125056671

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine?
The IUPAC name of 1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine (CID 122095877) is 1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine.
What is the SMILES notation for 1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine?
The canonical SMILES for 1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine is CN(CC/N=C(\N)NC1CCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine?
The InChIKey is LAHRLCQHWBCHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2S/c1-19(10-9-17-14(16)18-12-3-2-4-12)22(20,21)13-7-5-11(15)6-8-13/h5-8,12H,2-4,9-10H2,1H3,(H3,16,17,18).
What are the key properties of 1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine?
1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine has a molecular weight of 328.41 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine is sourced from PubChem (CID 122095877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).