(6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane

C20H23N3O3S — CID 158047639

IUPAC(6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane
SMILESCc1ccc(N2CC[C@@]3(CCc4cc(C(=O)NO)ccc4C3)C2=O)cn1.S
InChIInChI=1S/C20H21N3O3.H2S/c1-13-2-5-17(12-21-13)23-9-8-20(19(23)25)7-6-14-10-15(18(24)22-26)3-4-16(14)11-20;/h2-5,10,12,26H,6-9,11H2,1H3,(H,22,24);1H2/t20-;/m1./s1
InChIKeyFJCIPHYJCLPHHR-VEIFNGETSA-N
MW385.49 g/mol
LogP2.53
Rot. Bonds2

About (6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane

(6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane (PubChem CID 158047639) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is (6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane.

Molecular Properties

Compound Name(6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane
PubChem CID158047639
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name(6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane
SMILESCc1ccc(N2CC[C@@]3(CCc4cc(C(=O)NO)ccc4C3)C2=O)cn1.S
InChIInChI=1S/C20H21N3O3.H2S/c1-13-2-5-17(12-21-13)23-9-8-20(19(23)25)7-6-14-10-15(18(24)22-26)3-4-16(14)11-20;/h2-5,10,12,26H,6-9,11H2,1H3,(H,22,24);1H2/t20-;/m1./s1
InChIKeyFJCIPHYJCLPHHR-VEIFNGETSA-N
XLogP2.53
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-hydroxy-1'-(2-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 140747802
(7S)-N-hydroxy-2'-oxo-1'-pyridin-3-ylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619693
N-hydroxy-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 140747820
(6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122616556
(7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619772
N-hydroxy-1'-methyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-azocane]-2-carboxamide
CID 122616612
(6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122616387
(2S)-N-hydroxy-2'-oxo-1'-pyridin-2-ylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide
CID 138707621
(6R)-1'-cyclobutyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide
CID 122616327
(2R)-1'-ethyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide
CID 138707575
ethane;methyl 2'-oxo-1'-pyridin-3-ylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
CID 145171320
(6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122616521

Frequently Asked Questions

What is the IUPAC name of (6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane?
The IUPAC name of (6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane (CID 158047639) is (6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane.
What is the SMILES notation for (6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane?
The canonical SMILES for (6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane is Cc1ccc(N2CC[C@@]3(CCc4cc(C(=O)NO)ccc4C3)C2=O)cn1.S.
What is the InChIKey of (6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane?
The InChIKey is FJCIPHYJCLPHHR-VEIFNGETSA-N. The full InChI is InChI=1S/C20H21N3O3.H2S/c1-13-2-5-17(12-21-13)23-9-8-20(19(23)25)7-6-14-10-15(18(24)22-26)3-4-16(14)11-20;/h2-5,10,12,26H,6-9,11H2,1H3,(H,22,24);1H2/t20-;/m1./s1.
What are the key properties of (6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane?
(6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane has a molecular weight of 385.49 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane is sourced from PubChem (CID 158047639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).