4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-pyrazine-6-sulfinate

C15H13N2O3S- — CID 57083020

IUPAC4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-pyrazine-6-sulfinate
SMILESO=C(c1cccc2ccccc12)N1CCN=C(S(=O)[O-])C1
InChIInChI=1S/C15H14N2O3S/c18-15(17-9-8-16-14(10-17)21(19)20)13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2,(H,19,20)/p-1
InChIKeyPEWGWMLLNMJBFU-UHFFFAOYSA-M
MW301.35 g/mol
LogP1.57
Rot. Bonds1

About 4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-pyrazine-6-sulfinate

4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-pyrazine-6-sulfinate (PubChem CID 57083020) has the molecular formula C15H13N2O3S- and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-pyrazine-6-sulfinate.

Molecular Properties

Compound Name4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-pyrazine-6-sulfinate
PubChem CID57083020
Molecular FormulaC15H13N2O3S-
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-pyrazine-6-sulfinate
SMILESO=C(c1cccc2ccccc12)N1CCN=C(S(=O)[O-])C1
InChIInChI=1S/C15H14N2O3S/c18-15(17-9-8-16-14(10-17)21(19)20)13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2,(H,19,20)/p-1
InChIKeyPEWGWMLLNMJBFU-UHFFFAOYSA-M
XLogP1.57
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone
CID 4124860
naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053800
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043
naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
CID 67393097
4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062
1,4-diazepan-1-yl(naphthalen-1-yl)methanone
CID 18933042
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 46568132
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-pyrazine-6-sulfinate?
The IUPAC name of 4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-pyrazine-6-sulfinate (CID 57083020) is 4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-pyrazine-6-sulfinate.
What is the SMILES notation for 4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-pyrazine-6-sulfinate?
The canonical SMILES for 4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-pyrazine-6-sulfinate is O=C(c1cccc2ccccc12)N1CCN=C(S(=O)[O-])C1.
What is the InChIKey of 4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-pyrazine-6-sulfinate?
The InChIKey is PEWGWMLLNMJBFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14N2O3S/c18-15(17-9-8-16-14(10-17)21(19)20)13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2,(H,19,20)/p-1.
What are the key properties of 4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-pyrazine-6-sulfinate?
4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-pyrazine-6-sulfinate has a molecular weight of 301.35 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-pyrazine-6-sulfinate is sourced from PubChem (CID 57083020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).