cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane

C17H21FN2O2S2 — CID 158584645

IUPACcis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane
SMILESO=C(NO)[C@@]1(c2ccccc2)CC[C@H](c2cncc(F)c2)C1.S.S
InChIInChI=1S/C17H17FN2O2.2H2S/c18-15-8-13(10-19-11-15)12-6-7-17(9-12,16(21)20-22)14-4-2-1-3-5-14;;/h1-5,8,10-12,22H,6-7,9H2,(H,20,21);2*1H2/t12-,17-;;/m0../s1
InChIKeyHTRHEIWFEZOCSY-RSAMZESZSA-N
MW368.50 g/mol
LogP3.16
Rot. Bonds3

About cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane

cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane (PubChem CID 158584645) has the molecular formula C17H21FN2O2S2 and a molecular weight of 368.50 g/mol. Its IUPAC name is cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane.

Molecular Properties

Compound Namecis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane
PubChem CID158584645
Molecular FormulaC17H21FN2O2S2
Molecular Weight368.50 g/mol
Exact Mass368.10
IUPAC Namecis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane
SMILESO=C(NO)[C@@]1(c2ccccc2)CC[C@H](c2cncc(F)c2)C1.S.S
InChIInChI=1S/C17H17FN2O2.2H2S/c18-15-8-13(10-19-11-15)12-6-7-17(9-12,16(21)20-22)14-4-2-1-3-5-14;;/h1-5,8,10-12,22H,6-7,9H2,(H,20,21);2*1H2/t12-,17-;;/m0../s1
InChIKeyHTRHEIWFEZOCSY-RSAMZESZSA-N
XLogP3.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide
CID 86274412
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide
CID 86273456
1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-pyridin-3-ylcyclopentane-1-carboxamide
CID 86273207
(5-fluoro-3-pyridinyl)-(1-phenylcyclopropyl)methanone
CID 63080715
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide
CID 86272517
N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134589086
(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide
CID 118870476
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(3-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide;sulfane
CID 162000832
3-(5-fluoro-3-pyridinyl)cyclopentan-1-one
CID 64521906
3-(2,2-dibromocyclopropyl)-5-fluoropyridine
CID 126979804
4-fluoro-1-phenylcyclohexane-1-carboxylic acid
CID 83853907
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane?
The IUPAC name of cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane (CID 158584645) is cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane.
What is the SMILES notation for cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane?
The canonical SMILES for cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane is O=C(NO)[C@@]1(c2ccccc2)CC[C@H](c2cncc(F)c2)C1.S.S.
What is the InChIKey of cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane?
The InChIKey is HTRHEIWFEZOCSY-RSAMZESZSA-N. The full InChI is InChI=1S/C17H17FN2O2.2H2S/c18-15-8-13(10-19-11-15)12-6-7-17(9-12,16(21)20-22)14-4-2-1-3-5-14;;/h1-5,8,10-12,22H,6-7,9H2,(H,20,21);2*1H2/t12-,17-;;/m0../s1.
What are the key properties of cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane?
cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane has a molecular weight of 368.50 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane is sourced from PubChem (CID 158584645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).