N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine

C19H21FN4O2S2 — CID 94724995

IUPACN-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(N/N=C2/CCSc3ccc(F)cc32)nc1)N1CCCCC1
InChIInChI=1S/C19H21FN4O2S2/c20-14-4-6-18-16(12-14)17(8-11-27-18)22-23-19-7-5-15(13-21-19)28(25,26)24-9-2-1-3-10-24/h4-7,12-13H,1-3,8-11H2,(H,21,23)/b22-17-
InChIKeyYWVGHQISOYEJGR-XLNRJJMWSA-N
MW420.54 g/mol
LogP3.71
Rot. Bonds4

About N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine

N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine (PubChem CID 94724995) has the molecular formula C19H21FN4O2S2 and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine
PubChem CID94724995
Molecular FormulaC19H21FN4O2S2
Molecular Weight420.54 g/mol
Exact Mass420.11
IUPAC NameN-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(N/N=C2/CCSc3ccc(F)cc32)nc1)N1CCCCC1
InChIInChI=1S/C19H21FN4O2S2/c20-14-4-6-18-16(12-14)17(8-11-27-18)22-23-19-7-5-15(13-21-19)28(25,26)24-9-2-1-3-10-24/h4-7,12-13H,1-3,8-11H2,(H,21,23)/b22-17-
InChIKeyYWVGHQISOYEJGR-XLNRJJMWSA-N
XLogP3.71
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine with MolForge

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Related Compounds

4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide
CID 39338201
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133446329
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
1-phenyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)hydrazine
CID 5267961
N-cyclopent-3-en-1-yl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133362074
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 60570236
4-fluoro-2-[(E)-C-methyl-N-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridinyl]amino]carbonimidoyl]phenol
CID 135846484
N-tert-butyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9024930
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 55680935

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine (CID 94724995) is N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(N/N=C2/CCSc3ccc(F)cc32)nc1)N1CCCCC1.
What is the InChIKey of N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is YWVGHQISOYEJGR-XLNRJJMWSA-N. The full InChI is InChI=1S/C19H21FN4O2S2/c20-14-4-6-18-16(12-14)17(8-11-27-18)22-23-19-7-5-15(13-21-19)28(25,26)24-9-2-1-3-10-24/h4-7,12-13H,1-3,8-11H2,(H,21,23)/b22-17-.
What are the key properties of N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine?
N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 420.54 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 94724995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).