1-cyano-2-[[(1R)-6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]guanidine

C19H19FN4O2S — CID 59021714

IUPAC1-cyano-2-[[(1R)-6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]guanidine
SMILESN#CN/C(N)=N/C[C@@H]1CCCc2cc(S(=O)(=O)c3ccccc3F)ccc21
InChIInChI=1S/C19H19FN4O2S/c20-17-6-1-2-7-18(17)27(25,26)15-8-9-16-13(10-15)4-3-5-14(16)11-23-19(22)24-12-21/h1-2,6-10,14H,3-5,11H2,(H3,22,23,24)/t14-/m0/s1
InChIKeyFUFJBZCOEVVFIS-AWEZNQCLSA-N
MW386.45 g/mol
LogP2.46
Rot. Bonds4

About 1-cyano-2-[[(1R)-6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]guanidine

1-cyano-2-[[(1R)-6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]guanidine (PubChem CID 59021714) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-cyano-2-[[(1R)-6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]guanidine.

Molecular Properties

Compound Name1-cyano-2-[[(1R)-6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]guanidine
PubChem CID59021714
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name1-cyano-2-[[(1R)-6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]guanidine
SMILESN#CN/C(N)=N/C[C@@H]1CCCc2cc(S(=O)(=O)c3ccccc3F)ccc21
InChIInChI=1S/C19H19FN4O2S/c20-17-6-1-2-7-18(17)27(25,26)15-8-9-16-13(10-15)4-3-5-14(16)11-23-19(22)24-12-21/h1-2,6-10,14H,3-5,11H2,(H3,22,23,24)/t14-/m0/s1
InChIKeyFUFJBZCOEVVFIS-AWEZNQCLSA-N
XLogP2.46
TPSA108.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
CID 11609675
3-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N'-[[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(diaminomethylideneamino)propanimidamide
CID 123672383
2-[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 66651542
2-amino-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 46889353
(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 59850114
methyl N-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
CID 66651422
6-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-one
CID 66651728
6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59021826
N'-[[6-(benzenesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N,N-dimethylethanimidamide
CID 68836798
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(methylamino)acetamide
CID 46890884
6-(benzenesulfonyl)-1-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalene
CID 162148460
1-butyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide
CID 110062160

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-[[(1R)-6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]guanidine?
The IUPAC name of 1-cyano-2-[[(1R)-6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]guanidine (CID 59021714) is 1-cyano-2-[[(1R)-6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]guanidine.
What is the SMILES notation for 1-cyano-2-[[(1R)-6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]guanidine?
The canonical SMILES for 1-cyano-2-[[(1R)-6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]guanidine is N#CN/C(N)=N/C[C@@H]1CCCc2cc(S(=O)(=O)c3ccccc3F)ccc21.
What is the InChIKey of 1-cyano-2-[[(1R)-6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]guanidine?
The InChIKey is FUFJBZCOEVVFIS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c20-17-6-1-2-7-18(17)27(25,26)15-8-9-16-13(10-15)4-3-5-14(16)11-23-19(22)24-12-21/h1-2,6-10,14H,3-5,11H2,(H3,22,23,24)/t14-/m0/s1.
What are the key properties of 1-cyano-2-[[(1R)-6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]guanidine?
1-cyano-2-[[(1R)-6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]guanidine has a molecular weight of 386.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-[[(1R)-6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]guanidine is sourced from PubChem (CID 59021714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).